N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide

C12H13N3O3 — CID 115191821

IUPACN'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13N3O3/c13-11(17)12(18)14-6-7-1-3-9-8(5-7)2-4-10(16)15-9/h1,3,5H,2,4,6H2,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyVMZHZPRSFAXMNI-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.33
Rot. Bonds2

About N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide

N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide (PubChem CID 115191821) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
PubChem CID115191821
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13N3O3/c13-11(17)12(18)14-6-7-1-3-9-8(5-7)2-4-10(16)15-9/h1,3,5H,2,4,6H2,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyVMZHZPRSFAXMNI-UHFFFAOYSA-N
XLogP-0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46494287
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide
CID 58615250
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541

Frequently Asked Questions

What is the IUPAC name of N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide?
The IUPAC name of N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide (CID 115191821) is N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide.
What is the SMILES notation for N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide?
The canonical SMILES for N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide is NC(=O)C(=O)NCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide?
The InChIKey is VMZHZPRSFAXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-11(17)12(18)14-6-7-1-3-9-8(5-7)2-4-10(16)15-9/h1,3,5H,2,4,6H2,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide?
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide has a molecular weight of 247.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide is sourced from PubChem (CID 115191821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).