tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate

C15H18F2N2O4 — CID 178034413

IUPACtert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1Cc2cc(OC(F)F)ccc2NC1=O
InChIInChI=1S/C15H18F2N2O4/c1-15(2,3)23-14(21)19-11-7-8-6-9(22-13(16)17)4-5-10(8)18-12(11)20/h4-6,11,13H,7H2,1-3H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyWKYMBQGABIPIEF-LLVKDONJSA-N
MW328.32 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate

tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate (PubChem CID 178034413) has the molecular formula C15H18F2N2O4 and a molecular weight of 328.32 g/mol. Its IUPAC name is tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
PubChem CID178034413
Molecular FormulaC15H18F2N2O4
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Nametert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1Cc2cc(OC(F)F)ccc2NC1=O
InChIInChI=1S/C15H18F2N2O4/c1-15(2,3)23-14(21)19-11-7-8-6-9(22-13(16)17)4-5-10(8)18-12(11)20/h4-6,11,13H,7H2,1-3H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyWKYMBQGABIPIEF-LLVKDONJSA-N
XLogP2.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 57049298
tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate
CID 59649653
tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
CID 54520306
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
CID 177164736
tert-butyl N-[5-(difluoromethoxy)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]carbamate
CID 123367725
tert-butyl N-[6-(3-methoxyphenoxy)-2-sulfanylidene-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 123689220
tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 178034102
tert-butyl N-[(3S)-7-cyano-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]carbamate
CID 90351164
tert-butyl N-(8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamate
CID 130003978
tert-butyl N-[(3R)-8-chloro-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 59362122
tert-butyl N-[(3R)-8-bromo-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
CID 130950969
tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
CID 70202759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate (CID 178034413) is tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1Cc2cc(OC(F)F)ccc2NC1=O.
What is the InChIKey of tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The InChIKey is WKYMBQGABIPIEF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F2N2O4/c1-15(2,3)23-14(21)19-11-7-8-6-9(22-13(16)17)4-5-10(8)18-12(11)20/h4-6,11,13H,7H2,1-3H3,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate has a molecular weight of 328.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate is sourced from PubChem (CID 178034413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).