tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate

C16H22N2O5 — CID 70202759

IUPACtert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
SMILESCOc1ccc2c(c1OC)NC(=O)C(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H22N2O5/c1-16(2,3)23-15(20)17-10-8-9-6-7-11(21-4)13(22-5)12(9)18-14(10)19/h6-7,10H,8H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyRSCFDDDRYMCFCO-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate

tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate (PubChem CID 70202759) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
PubChem CID70202759
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Nametert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
SMILESCOc1ccc2c(c1OC)NC(=O)C(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H22N2O5/c1-16(2,3)23-15(20)17-10-8-9-6-7-11(21-4)13(22-5)12(9)18-14(10)19/h6-7,10H,8H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyRSCFDDDRYMCFCO-UHFFFAOYSA-N
XLogP2.09
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 57049298
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
CID 177164736
tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
CID 54520306
tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate
CID 59649653
tert-butyl N-[(3S)-7,8-dimethoxy-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 157046169
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
CID 146142219
tert-butyl N-[(3R)-6-(difluoromethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 178034413
tert-butyl N-[(3S)-5-methoxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]carbamate
CID 131744780
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
CID 21201838
tert-butyl N-[(3S)-6-iodo-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 139416171
tert-butyl N-[(3R)-5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
CID 59773526
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate (CID 70202759) is tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate is COc1ccc2c(c1OC)NC(=O)C(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
The InChIKey is RSCFDDDRYMCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-16(2,3)23-15(20)17-10-8-9-6-7-11(21-4)13(22-5)12(9)18-14(10)19/h6-7,10H,8H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate has a molecular weight of 322.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7,8-dimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate is sourced from PubChem (CID 70202759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).