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

C17H15N3O4 — CID 10087673

IUPAC(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C17H15N3O4/c1-9(2)20-17(23)24-8-10-6-12-14(19-7-10)16(22)13-11(15(12)21)4-3-5-18-13/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyKXKUQHADQCKIQT-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.89
Rot. Bonds3

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

(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate (PubChem CID 10087673) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate
PubChem CID10087673
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C17H15N3O4/c1-9(2)20-17(23)24-8-10-6-12-14(19-7-10)16(22)13-11(15(12)21)4-3-5-18-13/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyKXKUQHADQCKIQT-UHFFFAOYSA-N
XLogP1.89
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate?
The IUPAC name of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate (CID 10087673) is (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate.
What is the SMILES notation for (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate?
The canonical SMILES for (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate is CC(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-propan-2-ylcarbamate?
The InChIKey is KXKUQHADQCKIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-9(2)20-17(23)24-8-10-6-12-14(19-7-10)16(22)13-11(15(12)21)4-3-5-18-13/h3-7,9H,8H2,1-2H3,(H,20,23).
What are the key properties of (5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate?
(5,10-dioxopyrido[3,2-g]quinolin-3-yl)methyl N-propan-2-ylcarbamate has a molecular weight of 325.32 g/mol, XLogP of 1.89, 3 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-propan-2-ylcarbamate is sourced from PubChem (CID 10087673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).