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

C17H23FN2O — CID 106662061

IUPAC6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CC(C)(C)CC1Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C17H23FN2O/c1-10-8-17(2,3)9-15(10)19-14-7-13-11(6-12(14)18)4-5-16(21)20-13/h6-7,10,15,19H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyACRQEZOPUPDAHV-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.95
Rot. Bonds2

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

6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106662061) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106662061
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CC(C)(C)CC1Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C17H23FN2O/c1-10-8-17(2,3)9-15(10)19-14-7-13-11(6-12(14)18)4-5-16(21)20-13/h6-7,10,15,19H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyACRQEZOPUPDAHV-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

5-bromo-2,4-difluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662857
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940
tert-butyl 3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]azetidine-1-carboxylate
CID 113231803
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778058
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 79458946
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 106662061) is 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC1CC(C)(C)CC1Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ACRQEZOPUPDAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-10-8-17(2,3)9-15(10)19-14-7-13-11(6-12(14)18)4-5-16(21)20-13/h6-7,10,15,19H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 290.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106662061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).