(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one

C12H11F2NO — CID 125483740

IUPAC(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H]([C@@H]2CC2(F)F)c2ccccc2N1
InChIInChI=1S/C12H11F2NO/c13-12(14)6-9(12)8-5-11(16)15-10-4-2-1-3-7(8)10/h1-4,8-9H,5-6H2,(H,15,16)/t8-,9+/m1/s1
InChIKeyILMPHCPWNDKYNJ-BDAKNGLRSA-N
MW223.22 g/mol
LogP2.77
Rot. Bonds1

About (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one

(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 125483740) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID125483740
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H]([C@@H]2CC2(F)F)c2ccccc2N1
InChIInChI=1S/C12H11F2NO/c13-12(14)6-9(12)8-5-11(16)15-10-4-2-1-3-7(8)10/h1-4,8-9H,5-6H2,(H,15,16)/t8-,9+/m1/s1
InChIKeyILMPHCPWNDKYNJ-BDAKNGLRSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 15366447
4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14624973
(5S)-5-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96630122
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51669604
1,4-dimethyl-3,4-dihydroquinolin-2-one;4-methyl-3,4-dihydro-1H-quinolin-2-one
CID 159184561
2-oxo-N-pentan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42933282
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-5-carbonitrile
CID 165145733
(5S)-5-(2-fluorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 124510450
1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
CID 167311658
(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95310315
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 125483740) is (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H]([C@@H]2CC2(F)F)c2ccccc2N1.
What is the InChIKey of (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ILMPHCPWNDKYNJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-12(14)6-9(12)8-5-11(16)15-10-4-2-1-3-7(8)10/h1-4,8-9H,5-6H2,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 223.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 125483740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).