(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate

C18H17N3O4 — CID 11809932

IUPAC(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C18H17N3O4/c1-18(2,3)21-17(24)25-9-10-7-12-14(20-8-10)16(23)13-11(15(12)22)5-4-6-19-13/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyPBYGPKMYTYZQFE-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.28
Rot. Bonds2

About (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate

(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate (PubChem CID 11809932) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate
PubChem CID11809932
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C18H17N3O4/c1-18(2,3)21-17(24)25-9-10-7-12-14(20-8-10)16(23)13-11(15(12)22)5-4-6-19-13/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyPBYGPKMYTYZQFE-UHFFFAOYSA-N
XLogP2.28
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate with MolForge

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Related Compounds

pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 10018090
pyrazin-2-ylmethyl N-tert-butylcarbamate
CID 174542549
tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
CID 10937100
[3-(5-bromo-3-pyridinyl)phenyl]methyl N-tert-butylcarbamate
CID 174613945
(4-acetamidophenyl)methyl N-tert-butylcarbamate
CID 155455042
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
[3-fluoro-4-(hydroxymethyl)phenyl]methyl N-tert-butylcarbamate
CID 174615925
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
4,7-phenanthroline-5,6-dione
CID 6764
tert-butyl (2S)-3,3-dimethyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoate
CID 67405744
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561

Frequently Asked Questions

What is the IUPAC name of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate?
The IUPAC name of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate (CID 11809932) is (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate?
The canonical SMILES for (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O.
What is the InChIKey of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate?
The InChIKey is PBYGPKMYTYZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-18(2,3)21-17(24)25-9-10-7-12-14(20-8-10)16(23)13-11(15(12)22)5-4-6-19-13/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate?
(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate has a molecular weight of 339.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 11809932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).