{6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy}-acetic acid ethyl ester

HCID 59366193

Basic information

Standard SMILES
CCOC(=O)COc1c(C)cc2cccnc2c1N1CCCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIKey
VPAHTDQYESTDDG-UHFFFAOYSA-N
Molecular formula
C29H33N5O3
Average molar mass
499.6 g/mol
Monoisotopic mass
499.25833993

Names & identifiers

Preferred name
{6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy}-acetic acid ethyl ester
IUPAC
ethyl 2-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxyacetate

Names & synonyms

SCHEMBL1063238VPAHTDQYESTDDG-UHFFFAOYSA-N{6-Methyl-8-[4-(1-phenyl-1H-pyrazol-3-ylmethyl)-[1,4]diazepan-1-yl]-quinolin-7-yloxy}-acetic acid ethyl ester

Database identifiers

PubChem CID
59366193

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
72.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
37

Related reactions

6 records

Compound notes

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