4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline

C25H30N4O4S — CID 171989287

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(C3CCCC3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C25H30N4O4S/c1-32-22-16-20-21(17-23(22)33-2)26-24(18-8-6-7-9-18)27-25(20)28-12-14-29(15-13-28)34(30,31)19-10-4-3-5-11-19/h3-5,10-11,16-18H,6-9,12-15H2,1-2H3
InChIKeyNHLLAGDMPYSBGX-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.82
Rot. Bonds6

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline

4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline (PubChem CID 171989287) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
PubChem CID171989287
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(C3CCCC3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C25H30N4O4S/c1-32-22-16-20-21(17-23(22)33-2)26-24(18-8-6-7-9-18)27-25(20)28-12-14-29(15-13-28)34(30,31)19-10-4-3-5-11-19/h3-5,10-11,16-18H,6-9,12-15H2,1-2H3
InChIKeyNHLLAGDMPYSBGX-UHFFFAOYSA-N
XLogP3.82
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline 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 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline (CID 171989287) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline is COc1cc2nc(C3CCCC3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2cc1OC.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline?
The InChIKey is NHLLAGDMPYSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-32-22-16-20-21(17-23(22)33-2)26-24(18-8-6-7-9-18)27-25(20)28-12-14-29(15-13-28)34(30,31)19-10-4-3-5-11-19/h3-5,10-11,16-18H,6-9,12-15H2,1-2H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline?
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline has a molecular weight of 482.61 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline is sourced from PubChem (CID 171989287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).