7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide

C22H24ClN4O+ — CID 7248332

IUPAC7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)NC3CC[NH+](C)CC3)cc(-c3cccnc3)nc12
InChIInChI=1S/C22H23ClN4O/c1-14-19(23)6-5-17-18(22(28)25-16-7-10-27(2)11-8-16)12-20(26-21(14)17)15-4-3-9-24-13-15/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,25,28)/p+1
InChIKeyYETORFGBLDHCPO-UHFFFAOYSA-O
MW395.91 g/mol
LogP2.67
Rot. Bonds3

About 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide

7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 7248332) has the molecular formula C22H24ClN4O+ and a molecular weight of 395.91 g/mol. Its IUPAC name is 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID7248332
Molecular FormulaC22H24ClN4O+
Molecular Weight395.91 g/mol
Exact Mass395.16
IUPAC Name7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)NC3CC[NH+](C)CC3)cc(-c3cccnc3)nc12
InChIInChI=1S/C22H23ClN4O/c1-14-19(23)6-5-17-18(22(28)25-16-7-10-27(2)11-8-16)12-20(26-21(14)17)15-4-3-9-24-13-15/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,25,28)/p+1
InChIKeyYETORFGBLDHCPO-UHFFFAOYSA-O
XLogP2.67
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
CID 17261236
N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
CID 17372353
(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17375501
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 1261502
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965475
N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 166268674
7-chloro-8-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
CID 46779468

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 7248332) is 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)NC3CC[NH+](C)CC3)cc(-c3cccnc3)nc12.
What is the InChIKey of 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is YETORFGBLDHCPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23ClN4O/c1-14-19(23)6-5-17-18(22(28)25-16-7-10-27(2)11-8-16)12-20(26-21(14)17)15-4-3-9-24-13-15/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,25,28)/p+1.
What are the key properties of 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 395.91 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 7248332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).