6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one

C32H36N6O5S — CID 135474505

IUPAC6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4OC)c3cc2c(=O)[nH]1
InChIInChI=1S/C32H36N6O5S/c1-4-16-43-30-11-10-23(44(40,41)38-14-12-36(5-2)13-15-38)17-25(30)31-34-26-19-27-28(18-24(26)32(39)35-31)37(21-33-27)20-22-8-6-7-9-29(22)42-3/h6-11,17-19,21H,4-5,12-16,20H2,1-3H3,(H,34,35,39)
InChIKeyYPILMKPHRIMVNF-UHFFFAOYSA-N
MW616.74 g/mol
LogP4.11
Rot. Bonds10

About 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one

6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one (PubChem CID 135474505) has the molecular formula C32H36N6O5S and a molecular weight of 616.74 g/mol. Its IUPAC name is 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one
PubChem CID135474505
Molecular FormulaC32H36N6O5S
Molecular Weight616.74 g/mol
Exact Mass616.25
IUPAC Name6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4OC)c3cc2c(=O)[nH]1
InChIInChI=1S/C32H36N6O5S/c1-4-16-43-30-11-10-23(44(40,41)38-14-12-36(5-2)13-15-38)17-25(30)31-34-26-19-27-28(18-24(26)32(39)35-31)37(21-33-27)20-22-8-6-7-9-29(22)42-3/h6-11,17-19,21H,4-5,12-16,20H2,1-3H3,(H,34,35,39)
InChIKeyYPILMKPHRIMVNF-UHFFFAOYSA-N
XLogP4.11
TPSA122.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one 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 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one (CID 135474505) is 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one is CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4OC)c3cc2c(=O)[nH]1.
What is the InChIKey of 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one?
The InChIKey is YPILMKPHRIMVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O5S/c1-4-16-43-30-11-10-23(44(40,41)38-14-12-36(5-2)13-15-38)17-25(30)31-34-26-19-27-28(18-24(26)32(39)35-31)37(21-33-27)20-22-8-6-7-9-29(22)42-3/h6-11,17-19,21H,4-5,12-16,20H2,1-3H3,(H,34,35,39).
What are the key properties of 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one?
6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one has a molecular weight of 616.74 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(2-methoxyphenyl)methyl]-7H-imidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135474505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).