N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide

C12H13ClN2O3 — CID 23064232

IUPACN-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c2c(c1O)CCC(=O)N2
InChIInChI=1S/C12H13ClN2O3/c1-2-9(16)14-8-5-7(13)11-6(12(8)18)3-4-10(17)15-11/h5,18H,2-4H2,1H3,(H,14,16)(H,15,17)
InChIKeyXUEXHTGHEXQVFB-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.28
Rot. Bonds2

About N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide

N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (PubChem CID 23064232) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
PubChem CID23064232
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c2c(c1O)CCC(=O)N2
InChIInChI=1S/C12H13ClN2O3/c1-2-9(16)14-8-5-7(13)11-6(12(8)18)3-4-10(17)15-11/h5,18H,2-4H2,1H3,(H,14,16)(H,15,17)
InChIKeyXUEXHTGHEXQVFB-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-7-fluoro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 118904646
N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide
CID 9835466
N-(5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide
CID 10060562
N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 10333270
8-Chloro-5-hydroxy-3,4-dihydrocarbostyril
CID 12899140
6-Chloro-5-hydroxy-3,4-dihydrocarbostyril
CID 12899416
5-Hydroxy-6,8-dichloro-3,4-dihydrocarbostyril
CID 12899417
5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one
CID 14693187
5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one;hydrochloride
CID 14693188
N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-2-methylbenzamide
CID 18724754
8-Chloro-5-hydroxy-4,4-dimethyl-6-nitro-1,3-dihydroquinolin-2-one
CID 20250641
N-(5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 21326390

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The IUPAC name of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide (CID 23064232) is N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The canonical SMILES for N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is CCC(=O)Nc1cc(Cl)c2c(c1O)CCC(=O)N2.
What is the InChIKey of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
The InChIKey is XUEXHTGHEXQVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-2-9(16)14-8-5-7(13)11-6(12(8)18)3-4-10(17)15-11/h5,18H,2-4H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide?
N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide has a molecular weight of 268.70 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 23064232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).