(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate

C17H20N4O4 — CID 139661726

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate
SMILESO=C(NN1CCNCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C17H20N4O4/c22-16-4-1-12-13-9-11(10-24-15(13)3-2-14(12)19-16)25-17(23)20-21-7-5-18-6-8-21/h1-4,11,18H,5-10H2,(H,19,22)(H,20,23)
InChIKeyHRWXJLBTQUOTEX-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.38
Rot. Bonds2

About (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate (PubChem CID 139661726) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate
PubChem CID139661726
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate
SMILESO=C(NN1CCNCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C17H20N4O4/c22-16-4-1-12-13-9-11(10-24-15(13)3-2-14(12)19-16)25-17(23)20-21-7-5-18-6-8-21/h1-4,11,18H,5-10H2,(H,19,22)(H,20,23)
InChIKeyHRWXJLBTQUOTEX-UHFFFAOYSA-N
XLogP0.38
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate (CID 139661726) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate is O=C(NN1CCNCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate?
The InChIKey is HRWXJLBTQUOTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-16-4-1-12-13-9-11(10-24-15(13)3-2-14(12)19-16)25-17(23)20-21-7-5-18-6-8-21/h1-4,11,18H,5-10H2,(H,19,22)(H,20,23).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate has a molecular weight of 344.37 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperazin-1-ylcarbamate is sourced from PubChem (CID 139661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).