methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate

C20H18N2O3 — CID 34059816

IUPACmethyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3nc2C)c1
InChIInChI=1S/C20H18N2O3/c1-12-7-8-18-15(9-12)11-17(13(2)21-18)19(23)22-16-6-4-5-14(10-16)20(24)25-3/h4-11H,1-3H3,(H,22,23)
InChIKeyGKQXWUCJLYSPEO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.89
Rot. Bonds3

About methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate

methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate (PubChem CID 34059816) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
PubChem CID34059816
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3nc2C)c1
InChIInChI=1S/C20H18N2O3/c1-12-7-8-18-15(9-12)11-17(13(2)21-18)19(23)22-16-6-4-5-14(10-16)20(24)25-3/h4-11H,1-3H3,(H,22,23)
InChIKeyGKQXWUCJLYSPEO-UHFFFAOYSA-N
XLogP3.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-[3-(1,3-dithiolan-2-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 35852244
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate (CID 34059816) is methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3nc2C)c1.
What is the InChIKey of methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate?
The InChIKey is GKQXWUCJLYSPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-7-8-18-15(9-12)11-17(13(2)21-18)19(23)22-16-6-4-5-14(10-16)20(24)25-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate?
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate has a molecular weight of 334.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 34059816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).