7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one

C15H14N2OS — CID 43450016

IUPAC7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ccccc1)CCC(=O)N2
InChIInChI=1S/C15H14N2OS/c16-12-9-13-10(6-7-15(18)17-13)8-14(12)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,16H2,(H,17,18)
InChIKeyGCBPMPADOSUKOQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.30
Rot. Bonds2

About 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one

7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43450016) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID43450016
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ccccc1)CCC(=O)N2
InChIInChI=1S/C15H14N2OS/c16-12-9-13-10(6-7-15(18)17-13)8-14(12)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,16H2,(H,17,18)
InChIKeyGCBPMPADOSUKOQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43455724
6-amino-7-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 61297339
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-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43455745
7-amino-6-(3-hydroxy-2-methylpropyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 66103975
7-amino-6-(4-hydroxybutan-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 66105681
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
6-phenylsulfanyl-1,3-dihydroindol-2-one
CID 21481215
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one (CID 43450016) is 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Sc1ccccc1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GCBPMPADOSUKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-12-9-13-10(6-7-15(18)17-13)8-14(12)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,16H2,(H,17,18).
What are the key properties of 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 270.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43450016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).