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

C16H16FN3O — CID 104821910

IUPAC6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2cc3c(cc2F)CCC(=O)N3)cn1
InChIInChI=1S/C16H16FN3O/c1-10-2-3-11(8-18-10)9-19-15-7-14-12(6-13(15)17)4-5-16(21)20-14/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,21)
InChIKeyVEIRFBMGGSROMW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.03
Rot. Bonds3

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

6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 104821910) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID104821910
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2cc3c(cc2F)CCC(=O)N3)cn1
InChIInChI=1S/C16H16FN3O/c1-10-2-3-11(8-18-10)9-19-15-7-14-12(6-13(15)17)4-5-16(21)20-14/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,21)
InChIKeyVEIRFBMGGSROMW-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723932
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
6-fluoro-7-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 66116626
7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 66133394
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 115938007
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 104821910) is 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(CNc2cc3c(cc2F)CCC(=O)N3)cn1.
What is the InChIKey of 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VEIRFBMGGSROMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-2-3-11(8-18-10)9-19-15-7-14-12(6-13(15)17)4-5-16(21)20-14/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 104821910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).