6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one

C9H9ClN2O — CID 117209542

IUPAC6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc2c(c1Cl)CCC(=O)N2
InChIInChI=1S/C9H9ClN2O/c10-9-5-1-4-8(13)12-7(5)3-2-6(9)11/h2-3H,1,4,11H2,(H,12,13)
InChIKeyJVWUKWNKOBGHHS-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.81
Rot. Bonds

About 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one

6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117209542) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID117209542
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc2c(c1Cl)CCC(=O)N2
InChIInChI=1S/C9H9ClN2O/c10-9-5-1-4-8(13)12-7(5)3-2-6(9)11/h2-3H,1,4,11H2,(H,12,13)
InChIKeyJVWUKWNKOBGHHS-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 115937318
5-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 10877685
3-methyl-8,9-dihydro-6H-pyrrolo[3,2-f]quinolin-7-one
CID 141467140
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 126587601
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117209531
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84655921
5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 12899435

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one (CID 117209542) is 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one is Nc1ccc2c(c1Cl)CCC(=O)N2.
What is the InChIKey of 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JVWUKWNKOBGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-9-5-1-4-8(13)12-7(5)3-2-6(9)11/h2-3H,1,4,11H2,(H,12,13).
What are the key properties of 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one?
6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 196.64 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117209542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).