methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate

C20H18N2O4 — CID 41499824

IUPACmethyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3ccc(OC)cc3nc2C)c1
InChIInChI=1S/C20H18N2O4/c1-12-17(10-13-7-8-16(25-2)11-18(13)21-12)19(23)22-15-6-4-5-14(9-15)20(24)26-3/h4-11H,1-3H3,(H,22,23)
InChIKeyPSUPWZNBJWMKSU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.59
Rot. Bonds4

About methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate

methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate (PubChem CID 41499824) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
PubChem CID41499824
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3ccc(OC)cc3nc2C)c1
InChIInChI=1S/C20H18N2O4/c1-12-17(10-13-7-8-16(25-2)11-18(13)21-12)19(23)22-15-6-4-5-14(9-15)20(24)26-3/h4-11H,1-3H3,(H,22,23)
InChIKeyPSUPWZNBJWMKSU-UHFFFAOYSA-N
XLogP3.59
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid
CID 10449658
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
7-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 78828928

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate (CID 41499824) is methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc3ccc(OC)cc3nc2C)c1.
What is the InChIKey of methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate?
The InChIKey is PSUPWZNBJWMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-17(10-13-7-8-16(25-2)11-18(13)21-12)19(23)22-15-6-4-5-14(9-15)20(24)26-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate?
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate has a molecular weight of 350.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 41499824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).