6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one

C12H14F2N2O — CID 116838540

IUPAC6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNCCC(F)(F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H14F2N2O/c13-12(14,5-6-15)9-2-3-10-8(7-9)1-4-11(17)16-10/h2-3,7H,1,4-6,15H2,(H,16,17)
InChIKeyDWHAJXKKRVGEJW-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.01
Rot. Bonds3

About 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116838540) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116838540
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNCCC(F)(F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H14F2N2O/c13-12(14,5-6-15)9-2-3-10-8(7-9)1-4-11(17)16-10/h2-3,7H,1,4-6,15H2,(H,16,17)
InChIKeyDWHAJXKKRVGEJW-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 116853259
6-(1-amino-2-methylpropan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 113422602
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one (CID 116838540) is 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one is NCCC(F)(F)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DWHAJXKKRVGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-12(14,5-6-15)9-2-3-10-8(7-9)1-4-11(17)16-10/h2-3,7H,1,4-6,15H2,(H,16,17).
What are the key properties of 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 240.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116838540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).