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

C16H23FN2O — CID 43723883

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

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

6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43723883) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43723883
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCC(C)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C16H23FN2O/c1-3-4-5-6-11(2)18-15-10-14-12(9-13(15)17)7-8-16(20)19-14/h9-11,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyIIQXITRHRRERSW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940
6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62535653
6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442754
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43723883) is 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is CCCCCC(C)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IIQXITRHRRERSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-4-5-6-11(2)18-15-10-14-12(9-13(15)17)7-8-16(20)19-14/h9-11,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-(heptan-2-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-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43723883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).