4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

C16H15N3O2 — CID 43696909

IUPAC4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C16H15N3O2/c17-12-4-1-10(2-5-12)16(21)18-13-6-7-14-11(9-13)3-8-15(20)19-14/h1-2,4-7,9H,3,8,17H2,(H,18,21)(H,19,20)
InChIKeyBCPKYUCGHUSTNU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.41
Rot. Bonds2

About 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (PubChem CID 43696909) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
PubChem CID43696909
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C16H15N3O2/c17-12-4-1-10(2-5-12)16(21)18-13-6-7-14-11(9-13)3-8-15(20)19-14/h1-2,4-7,9H,3,8,17H2,(H,18,21)(H,19,20)
InChIKeyBCPKYUCGHUSTNU-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55965676
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The IUPAC name of 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (CID 43696909) is 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The canonical SMILES for 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The InChIKey is BCPKYUCGHUSTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-12-4-1-10(2-5-12)16(21)18-13-6-7-14-11(9-13)3-8-15(20)19-14/h1-2,4-7,9H,3,8,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 43696909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).