7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C13H11ClFN3OS — CID 104921679

IUPAC7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCc3ncc(Cl)s3)cc2N1
InChIInChI=1S/C13H11ClFN3OS/c14-11-5-17-13(20-11)6-16-10-4-9-7(3-8(10)15)1-2-12(19)18-9/h3-5,16H,1-2,6H2,(H,18,19)
InChIKeyYFUMGVFAARUBHE-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.43
Rot. Bonds3

About 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one

7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 104921679) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID104921679
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC Name7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCc3ncc(Cl)s3)cc2N1
InChIInChI=1S/C13H11ClFN3OS/c14-11-5-17-13(20-11)6-16-10-4-9-7(3-8(10)15)1-2-12(19)18-9/h3-5,16H,1-2,6H2,(H,18,19)
InChIKeyYFUMGVFAARUBHE-UHFFFAOYSA-N
XLogP3.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
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
7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 66133394
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 115938007
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 107131652
6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723932
7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 79458946
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 104921679) is 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)c(NCc3ncc(Cl)s3)cc2N1.
What is the InChIKey of 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YFUMGVFAARUBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-11-5-17-13(20-11)6-16-10-4-9-7(3-8(10)15)1-2-12(19)18-9/h3-5,16H,1-2,6H2,(H,18,19).
What are the key properties of 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 104921679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).