7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide

C21H15ClN4O — CID 17372856

IUPAC7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccncc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C21H15ClN4O/c1-13-18(22)5-4-16-17(21(27)25-15-6-9-23-10-7-15)11-19(26-20(13)16)14-3-2-8-24-12-14/h2-12H,1H3,(H,23,25,27)
InChIKeyWAZZTEJHPYFWCR-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.91
Rot. Bonds3

About 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide

7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 17372856) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID17372856
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccncc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C21H15ClN4O/c1-13-18(22)5-4-16-17(21(27)25-15-6-9-23-10-7-15)11-19(26-20(13)16)14-3-2-8-24-12-14/h2-12H,1H3,(H,23,25,27)
InChIKeyWAZZTEJHPYFWCR-UHFFFAOYSA-N
XLogP4.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
4-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436055
4-(4-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436066
Quinolinium, 7-chloro-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide
CID 206454

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide (CID 17372856) is 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)Nc3ccncc3)cc(-c3cccnc3)nc12.
What is the InChIKey of 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is WAZZTEJHPYFWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c1-13-18(22)5-4-16-17(21(27)25-15-6-9-23-10-7-15)11-19(26-20(13)16)14-3-2-8-24-12-14/h2-12H,1H3,(H,23,25,27).
What are the key properties of 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide?
7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2-pyridin-3-yl-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 17372856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).