N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide

C20H20N2O3 — CID 167894443

IUPACN-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(C(=O)NCc3cccc(C)c3C)cc2c1
InChIInChI=1S/C20H20N2O3/c1-12-5-4-6-14(13(12)2)11-21-19(23)17-10-15-9-16(25-3)7-8-18(15)22-20(17)24/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAKSKEQJLCSCGHK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.08
Rot. Bonds4

About N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide

N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 167894443) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID167894443
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(C(=O)NCc3cccc(C)c3C)cc2c1
InChIInChI=1S/C20H20N2O3/c1-12-5-4-6-14(13(12)2)11-21-19(23)17-10-15-9-16(25-3)7-8-18(15)22-20(17)24/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAKSKEQJLCSCGHK-UHFFFAOYSA-N
XLogP3.08
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 110324868
3-methoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666080
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 175658405
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
CID 154773914
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide (CID 167894443) is N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide is COc1ccc2[nH]c(=O)c(C(=O)NCc3cccc(C)c3C)cc2c1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is AKSKEQJLCSCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-5-4-6-14(13(12)2)11-21-19(23)17-10-15-9-16(25-3)7-8-18(15)22-20(17)24/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167894443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).