6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide

C20H19ClN2O3 — CID 55474879

IUPAC6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC
InChIInChI=1S/C20H19ClN2O3/c1-12-16(10-14-9-15(21)5-6-17(14)23-12)20(24)22-11-13-4-7-18(25-2)19(8-13)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyUZPIFJFKTHFQIN-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.14
Rot. Bonds5

About 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide (PubChem CID 55474879) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
PubChem CID55474879
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC
InChIInChI=1S/C20H19ClN2O3/c1-12-16(10-14-9-15(21)5-6-17(14)23-12)20(24)22-11-13-4-7-18(25-2)19(8-13)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyUZPIFJFKTHFQIN-UHFFFAOYSA-N
XLogP4.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 60547561
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 55474720
6-chloro-2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinoline-3-carboxamide
CID 46975953
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide (CID 55474879) is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide is COc1ccc(CNC(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC.
What is the InChIKey of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide?
The InChIKey is UZPIFJFKTHFQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-16(10-14-9-15(21)5-6-17(14)23-12)20(24)22-11-13-4-7-18(25-2)19(8-13)26-3/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 55474879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).