3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide

C12H13ClN2O2 — CID 12810798

IUPAC3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13ClN2O2/c13-6-5-12(17)14-9-2-3-10-8(7-9)1-4-11(16)15-10/h2-3,7H,1,4-6H2,(H,14,17)(H,15,16)
InChIKeyDNHNOIBBBMBGFW-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.14
Rot. Bonds3

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

3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (PubChem CID 12810798) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
PubChem CID12810798
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13ClN2O2/c13-6-5-12(17)14-9-2-3-10-8(7-9)1-4-11(16)15-10/h2-3,7H,1,4-6H2,(H,14,17)(H,15,16)
InChIKeyDNHNOIBBBMBGFW-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
3-(ethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 62832872
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
2-(2,6-dimethylphenoxy)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 39216117
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The IUPAC name of 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (CID 12810798) is 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is O=C(CCCl)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The InChIKey is DNHNOIBBBMBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-6-5-12(17)14-9-2-3-10-8(7-9)1-4-11(16)15-10/h2-3,7H,1,4-6H2,(H,14,17)(H,15,16).
What are the key properties of 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide has a molecular weight of 252.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 12810798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).