5-Methyl-2-(4-(quinolin-7-ylmethylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

HCID 25061364
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Basic information

Standard SMILES
Cc1ccc(N2CCc3ncnc(NCc4ccc5cccnc5c4)c3C2)c(C#N)c1
InChIKey
PZMBMCKGANNYSX-UHFFFAOYSA-N
Molecular formula
C25H22N6
Average molar mass
406.5 g/mol
Monoisotopic mass
406.19059473

Names & identifiers

Preferred name
5-Methyl-2-(4-(quinolin-7-ylmethylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile
IUPAC
5-methyl-2-[4-(quinolin-7-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile

Names & synonyms

SCHEMBL2856920CHEMBL3731410PZMBMCKGANNYSX-UHFFFAOYSA-N5-Methyl-2-(4-(quinolin-7-ylmethylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

Database identifiers

PubChem CID
25061364
ChEMBL
CHEMBL3731410

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
77.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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