N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide

C17H14N2O2 — CID 166776296

IUPACN-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3[nH]c(=O)ccc23)c1
InChIInChI=1S/C17H14N2O2/c1-11-4-2-5-12(10-11)18-17(21)14-6-3-7-15-13(14)8-9-16(20)19-15/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyXBXJIODDVKTTGP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.09
Rot. Bonds2

About N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide

N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide (PubChem CID 166776296) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide
PubChem CID166776296
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3[nH]c(=O)ccc23)c1
InChIInChI=1S/C17H14N2O2/c1-11-4-2-5-12(10-11)18-17(21)14-6-3-7-15-13(14)8-9-16(20)19-15/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyXBXJIODDVKTTGP-UHFFFAOYSA-N
XLogP3.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-acetyl-1H-quinolin-2-one
CID 13375477
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CID 113204253
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
2,5-dihydroxy-1-N,4-N-bis(3-methylphenyl)-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxamide
CID 98096567
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide (CID 166776296) is N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide is Cc1cccc(NC(=O)c2cccc3[nH]c(=O)ccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide?
The InChIKey is XBXJIODDVKTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-4-2-5-12(10-11)18-17(21)14-6-3-7-15-13(14)8-9-16(20)19-15/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide?
N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide is sourced from PubChem (CID 166776296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).