3-[[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
Basic information
- CAS
3910-95-0- Standard SMILES
CCC(c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O- InChIKey
GFDCNTVRPJXXIE-UHFFFAOYSA-N- Molecular formula
- C31H33FN6O2
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.26490248
Names & identifiers
- Preferred name
- 3-[[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
- IUPAC
- 3-[[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
Names & synonyms
3910-95-0ASN 05300540Oprea1_299638DTXSID70390420AKOS000691122AKOS0243080163-[[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-oneST503424083-({(1-{1-[(4-Fluorophenyl)methyl]-1H-tetrazol-5-yl}propyl)[(4-methoxyphenyl)methyl]amino}methyl)-6,7-dimethylquinolin-2(1H)-one3-{[(1-{1-[(4-FLUOROPHENYL)METHYL]-1,2,3,4-TETRAZOL-5-YL}PROPYL)[(4-METHOXYPHENYL)METHYL]AMINO]METHYL}-6,7-DIMETHYL-1H-QUINOLIN-2-ONE
Database identifiers
- CAS
3910-95-0- PubChem CID
- 3199786
- DTXSID
DTXSID70390420
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 859
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Compound notes
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