7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one

C24H19ClN4O2 — CID 171514511

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4cccnc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C24H19ClN4O2/c1-28-21(12-15-5-8-18(31-2)9-6-15)27-22-23(28)19-10-7-16(25)13-20(19)29(24(22)30)17-4-3-11-26-14-17/h3-11,13-14H,12H2,1-2H3
InChIKeyWNJJBLMJJZFONB-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.53
Rot. Bonds4

About 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one

7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514511) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
PubChem CID171514511
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4cccnc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C24H19ClN4O2/c1-28-21(12-15-5-8-18(31-2)9-6-15)27-22-23(28)19-10-7-16(25)13-20(19)29(24(22)30)17-4-3-11-26-14-17/h3-11,13-14H,12H2,1-2H3
InChIKeyWNJJBLMJJZFONB-UHFFFAOYSA-N
XLogP4.53
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one (CID 171514511) is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4cccnc4)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one?
The InChIKey is WNJJBLMJJZFONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-28-21(12-15-5-8-18(31-2)9-6-15)27-22-23(28)19-10-7-16(25)13-20(19)29(24(22)30)17-4-3-11-26-14-17/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one has a molecular weight of 430.90 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).