tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate

C19H19N3O4 — CID 10937100

IUPACtert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccnc2c1C(=O)c1cccnc1C2=O
InChIInChI=1S/C19H19N3O4/c1-19(2,3)26-18(25)22-10-7-11-6-9-21-15-13(11)16(23)12-5-4-8-20-14(12)17(15)24/h4-6,8-9H,7,10H2,1-3H3,(H,22,25)
InChIKeyWTAMCJWNMHRNPX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate

tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate (PubChem CID 10937100) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
PubChem CID10937100
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nametert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccnc2c1C(=O)c1cccnc1C2=O
InChIInChI=1S/C19H19N3O4/c1-19(2,3)26-18(25)22-10-7-11-6-9-21-15-13(11)16(23)12-5-4-8-20-14(12)17(15)24/h4-6,8-9H,7,10H2,1-3H3,(H,22,25)
InChIKeyWTAMCJWNMHRNPX-UHFFFAOYSA-N
XLogP2.32
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]carbamate
CID 10852825
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
CID 142472999
[8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-6-yl]boronic acid
CID 150878167
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] methanesulfonate
CID 175577390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate (CID 10937100) is tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccnc2c1C(=O)c1cccnc1C2=O.
What is the InChIKey of tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate?
The InChIKey is WTAMCJWNMHRNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-19(2,3)26-18(25)22-10-7-11-6-9-21-15-13(11)16(23)12-5-4-8-20-14(12)17(15)24/h4-6,8-9H,7,10H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate?
tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate has a molecular weight of 353.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate is sourced from PubChem (CID 10937100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).