6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one

C15H13ClN2OS — CID 43455724

IUPAC6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ccccc1Cl)NC(=O)CC2
InChIInChI=1S/C15H13ClN2OS/c16-10-3-1-2-4-13(10)20-14-8-12-9(7-11(14)17)5-6-15(19)18-12/h1-4,7-8H,5-6,17H2,(H,18,19)
InChIKeyUFVVXGXJQILVLZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.96
Rot. Bonds2

About 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455724) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455724
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ccccc1Cl)NC(=O)CC2
InChIInChI=1S/C15H13ClN2OS/c16-10-3-1-2-4-13(10)20-14-8-12-9(7-11(14)17)5-6-15(19)18-12/h1-4,7-8H,5-6,17H2,(H,18,19)
InChIKeyUFVVXGXJQILVLZ-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43450016
6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43455745
6-amino-7-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 61297339
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
7-amino-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 61347249
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43455503
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
7-amino-6-(4-hydroxybutan-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 66105681
7-amino-6-(3-hydroxy-2-methylpropyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 66103975

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one (CID 43455724) is 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Sc1ccccc1Cl)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UFVVXGXJQILVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-10-3-1-2-4-13(10)20-14-8-12-9(7-11(14)17)5-6-15(19)18-12/h1-4,7-8H,5-6,17H2,(H,18,19).
What are the key properties of 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 304.80 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).