6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one

C16H23FN2O — CID 43723940

IUPAC6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(CCC)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C16H23FN2O/c1-3-5-12(6-4-2)18-15-10-14-11(9-13(15)17)7-8-16(20)19-14/h9-10,12,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyRUWDXEMXYMCYJN-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.09
Rot. Bonds6

About 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one

6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43723940) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43723940
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(CCC)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C16H23FN2O/c1-3-5-12(6-4-2)18-15-10-14-11(9-13(15)17)7-8-16(20)19-14/h9-10,12,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyRUWDXEMXYMCYJN-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883
6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62535653
6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457682
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
6-fluoro-7-(1-pyridin-3-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723948
6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106662061

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43723940) is 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one is CCCC(CCC)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RUWDXEMXYMCYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-5-12(6-4-2)18-15-10-14-11(9-13(15)17)7-8-16(20)19-14/h9-10,12,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 278.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43723940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).