1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline

C42H26F2N8 — CID 158039592

IUPAC1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline
SMILESFc1ccccc1-n1cnc2cnc3ccc(-c4cccnc4)cc3c21.Fc1ccccc1-n1cnc2cnc3ccc(-c4cccnc4)cc3c21
InChIInChI=1S/2C21H13FN4/c2*22-17-5-1-2-6-20(17)26-13-25-19-12-24-18-8-7-14(10-16(18)21(19)26)15-4-3-9-23-11-15/h2*1-13H
InChIKeyFIEMJNNBVFYHSA-UHFFFAOYSA-N
MW680.72 g/mol
LogP9.55
Rot. Bonds4

About 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline

1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline (PubChem CID 158039592) has the molecular formula C42H26F2N8 and a molecular weight of 680.72 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline
PubChem CID158039592
Molecular FormulaC42H26F2N8
Molecular Weight680.72 g/mol
Exact Mass680.22
IUPAC Name1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline
SMILESFc1ccccc1-n1cnc2cnc3ccc(-c4cccnc4)cc3c21.Fc1ccccc1-n1cnc2cnc3ccc(-c4cccnc4)cc3c21
InChIInChI=1S/2C21H13FN4/c2*22-17-5-1-2-6-20(17)26-13-25-19-12-24-18-8-7-14(10-16(18)21(19)26)15-4-3-9-23-11-15/h2*1-13H
InChIKeyFIEMJNNBVFYHSA-UHFFFAOYSA-N
XLogP9.55
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.72
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]benzaldehyde
CID 159172326
1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline
CID 11328446
1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline
CID 11224139
2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethanimine
CID 142830757
8-chloro-1-(2-chlorophenyl)imidazo[4,5-c]quinoline
CID 10448328
(NE)-N-[2-[2-(8-phenylimidazo[4,5-c]quinolin-1-yl)phenyl]-1-phosphanylethylidene]hydroxylamine
CID 142830737
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134149676
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87185357
7-fluoro-1-phenyl-8-thiophen-3-ylimidazo[4,5-c]quinoline
CID 141118135
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528103
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528112

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline (CID 158039592) is 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline is Fc1ccccc1-n1cnc2cnc3ccc(-c4cccnc4)cc3c21.Fc1ccccc1-n1cnc2cnc3ccc(-c4cccnc4)cc3c21.
What is the InChIKey of 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline?
The InChIKey is FIEMJNNBVFYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H13FN4/c2*22-17-5-1-2-6-20(17)26-13-25-19-12-24-18-8-7-14(10-16(18)21(19)26)15-4-3-9-23-11-15/h2*1-13H.
What are the key properties of 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline?
1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline has a molecular weight of 680.72 g/mol, XLogP of 9.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-8-pyridin-3-ylimidazo[4,5-c]quinoline is sourced from PubChem (CID 158039592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).