1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline

C25H19ClN6 — CID 141195629

IUPAC1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
SMILESCN1CN(c2ccc(-n3ccnc3)c(Cl)c2)c2c1cnc1ccc(-c3cccnc3)cc21
InChIInChI=1S/C25H19ClN6/c1-30-16-32(19-5-7-23(21(26)12-19)31-10-9-28-15-31)25-20-11-17(18-3-2-8-27-13-18)4-6-22(20)29-14-24(25)30/h2-15H,16H2,1H3
InChIKeyKMRMAEDFKLZNNO-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.68
Rot. Bonds3

About 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline

1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline (PubChem CID 141195629) has the molecular formula C25H19ClN6 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
PubChem CID141195629
Molecular FormulaC25H19ClN6
Molecular Weight438.92 g/mol
Exact Mass438.14
IUPAC Name1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
SMILESCN1CN(c2ccc(-n3ccnc3)c(Cl)c2)c2c1cnc1ccc(-c3cccnc3)cc21
InChIInChI=1S/C25H19ClN6/c1-30-16-32(19-5-7-23(21(26)12-19)31-10-9-28-15-31)25-20-11-17(18-3-2-8-27-13-18)4-6-22(20)29-14-24(25)30/h2-15H,16H2,1H3
InChIKeyKMRMAEDFKLZNNO-UHFFFAOYSA-N
XLogP5.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
The IUPAC name of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline (CID 141195629) is 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline is CN1CN(c2ccc(-n3ccnc3)c(Cl)c2)c2c1cnc1ccc(-c3cccnc3)cc21.
What is the InChIKey of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
The InChIKey is KMRMAEDFKLZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6/c1-30-16-32(19-5-7-23(21(26)12-19)31-10-9-28-15-31)25-20-11-17(18-3-2-8-27-13-18)4-6-22(20)29-14-24(25)30/h2-15H,16H2,1H3.
What are the key properties of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline has a molecular weight of 438.92 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 141195629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).