4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one

C17H16F2N2O — CID 169410909

IUPAC4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)CC2c1cccc(F)c1F
InChIInChI=1S/C17H16F2N2O/c1-21(2)10-6-7-11-13(9-16(22)20-15(11)8-10)12-4-3-5-14(18)17(12)19/h3-8,13H,9H2,1-2H3,(H,20,22)
InChIKeySGVXMFKPOVZXIG-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.50
Rot. Bonds2

About 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one

4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169410909) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID169410909
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)CC2c1cccc(F)c1F
InChIInChI=1S/C17H16F2N2O/c1-21(2)10-6-7-11-13(9-16(22)20-15(11)8-10)12-4-3-5-14(18)17(12)19/h3-8,13H,9H2,1-2H3,(H,20,22)
InChIKeySGVXMFKPOVZXIG-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
CID 95133159
7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 170511743
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
(4S)-7-(dimethylamino)-4-[2-(3-methylphenyl)pyrimidin-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95135697
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906
7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171387376
4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68830561
4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 170502916
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 95127758
(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833444

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 169410909) is 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one is CN(C)c1ccc2c(c1)NC(=O)CC2c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SGVXMFKPOVZXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-21(2)10-6-7-11-13(9-16(22)20-15(11)8-10)12-4-3-5-14(18)17(12)19/h3-8,13H,9H2,1-2H3,(H,20,22).
What are the key properties of 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one?
4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 302.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169410909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).