[(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate

C11H10F2N2O3 — CID 178034407

IUPAC[(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1Cc2ccc(C(F)F)cc2NC1=O
InChIInChI=1S/C11H10F2N2O3/c12-9(13)6-2-1-5-4-8(18-11(14)17)10(16)15-7(5)3-6/h1-3,8-9H,4H2,(H2,14,17)(H,15,16)/t8-/m1/s1
InChIKeyGZFGPCCKPOLBHO-MRVPVSSYSA-N
MW256.21 g/mol
LogP1.58
Rot. Bonds2

About [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate

[(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate (PubChem CID 178034407) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate
PubChem CID178034407
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name[(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1Cc2ccc(C(F)F)cc2NC1=O
InChIInChI=1S/C11H10F2N2O3/c12-9(13)6-2-1-5-4-8(18-11(14)17)10(16)15-7(5)3-6/h1-3,8-9H,4H2,(H2,14,17)(H,15,16)/t8-/m1/s1
InChIKeyGZFGPCCKPOLBHO-MRVPVSSYSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dioxopyrrolidin-3-yl) 2-(4-fluorophenyl)propanoate
CID 19102955
(3R)-3-amino-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 86339030
(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate
CID 175054373
[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 178034093
(2,5-dioxopyrrolidin-3-yl) 2-(4-ethoxyphenyl)butanoate
CID 19102962
(2S)-2-[[(3S,4R)-8-fluoro-2-oxo-4-phenyl-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]propanamide
CID 69362109
3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
CID 78166490
2,3-dihydro-1H-indol-3-yl carbamate
CID 91259921
[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate
CID 90864804
2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetate
CID 22998642
3-[7-[2-(diaminomethylideneamino)ethoxy]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid
CID 18462564
2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163292691

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate?
The IUPAC name of [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate (CID 178034407) is [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate.
What is the SMILES notation for [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate?
The canonical SMILES for [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate is NC(=O)O[C@@H]1Cc2ccc(C(F)F)cc2NC1=O.
What is the InChIKey of [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate?
The InChIKey is GZFGPCCKPOLBHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c12-9(13)6-2-1-5-4-8(18-11(14)17)10(16)15-7(5)3-6/h1-3,8-9H,4H2,(H2,14,17)(H,15,16)/t8-/m1/s1.
What are the key properties of [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate?
[(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate has a molecular weight of 256.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-(difluoromethyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] carbamate is sourced from PubChem (CID 178034407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).