6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

C20H18ClN3O — CID 39543853

IUPAC6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C20H18ClN3O/c1-13-18(10-15-9-16(21)4-7-19(15)23-13)20(25)24(17-5-6-17)12-14-3-2-8-22-11-14/h2-4,7-11,17H,5-6,12H2,1H3
InChIKeyHGNIMABNNRXGHT-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.40
Rot. Bonds4

About 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide (PubChem CID 39543853) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
PubChem CID39543853
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C20H18ClN3O/c1-13-18(10-15-9-16(21)4-7-19(15)23-13)20(25)24(17-5-6-17)12-14-3-2-8-22-11-14/h2-4,7-11,17H,5-6,12H2,1H3
InChIKeyHGNIMABNNRXGHT-UHFFFAOYSA-N
XLogP4.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
CID 75493389
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 36933832
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
6-chloro-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-3-carboxamide
CID 41377691

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide (CID 39543853) is 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The InChIKey is HGNIMABNNRXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-18(10-15-9-16(21)4-7-19(15)23-13)20(25)24(17-5-6-17)12-14-3-2-8-22-11-14/h2-4,7-11,17H,5-6,12H2,1H3.
What are the key properties of 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-methyl-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 39543853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).