6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C17H17FN2O — CID 43723900

IUPAC6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2cc3c(cc2F)CCC(=O)N3)cc1
InChIInChI=1S/C17H17FN2O/c1-11-2-4-12(5-3-11)10-19-16-9-15-13(8-14(16)18)6-7-17(21)20-15/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21)
InChIKeyVHDNKPQJBOKDHF-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.63
Rot. Bonds3

About 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43723900) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43723900
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2cc3c(cc2F)CCC(=O)N3)cc1
InChIInChI=1S/C17H17FN2O/c1-11-2-4-12(5-3-11)10-19-16-9-15-13(8-14(16)18)6-7-17(21)20-15/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21)
InChIKeyVHDNKPQJBOKDHF-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one 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

6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723932
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
6-fluoro-7-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 66116626
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 115938007
7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 66133394
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43723900) is 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(CNc2cc3c(cc2F)CCC(=O)N3)cc1.
What is the InChIKey of 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VHDNKPQJBOKDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-2-4-12(5-3-11)10-19-16-9-15-13(8-14(16)18)6-7-17(21)20-15/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43723900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).