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

C14H15FN4O — CID 43723892

IUPAC6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(CNc2cc3c(cc2F)CCC(=O)N3)cn1
InChIInChI=1S/C14H15FN4O/c1-19-8-9(7-17-19)6-16-13-5-12-10(4-11(13)15)2-3-14(20)18-12/h4-5,7-8,16H,2-3,6H2,1H3,(H,18,20)
InChIKeySCFMUUBWSCZXNY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.06
Rot. Bonds3

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

6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43723892) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43723892
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(CNc2cc3c(cc2F)CCC(=O)N3)cn1
InChIInChI=1S/C14H15FN4O/c1-19-8-9(7-17-19)6-16-13-5-12-10(4-11(13)15)2-3-14(20)18-12/h4-5,7-8,16H,2-3,6H2,1H3,(H,18,20)
InChIKeySCFMUUBWSCZXNY-UHFFFAOYSA-N
XLogP2.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-fluoro-7-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 66116626
6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
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-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 63036476
6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 103817912
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940
7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79771091
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 47364369
4-fluoro-5-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 103590050

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43723892) is 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cn1cc(CNc2cc3c(cc2F)CCC(=O)N3)cn1.
What is the InChIKey of 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SCFMUUBWSCZXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19-8-9(7-17-19)6-16-13-5-12-10(4-11(13)15)2-3-14(20)18-12/h4-5,7-8,16H,2-3,6H2,1H3,(H,18,20).
What are the key properties of 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 274.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43723892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).