6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C23H26N6O4S — CID 135406554

IUPAC6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C23H26N6O4S/c1-3-10-33-21-5-4-15(34(31,32)29-8-6-28(2)7-9-29)11-17(21)22-26-18-13-20-19(24-14-25-20)12-16(18)23(30)27-22/h4-5,11-14H,3,6-10H2,1-2H3,(H,24,25)(H,26,27,30)
InChIKeyOJQQFXIVAUZCJB-UHFFFAOYSA-N
MW482.57 g/mol
LogP2.19
Rot. Bonds6

About 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135406554) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135406554
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C23H26N6O4S/c1-3-10-33-21-5-4-15(34(31,32)29-8-6-28(2)7-9-29)11-17(21)22-26-18-13-20-19(24-14-25-20)12-16(18)23(30)27-22/h4-5,11-14H,3,6-10H2,1-2H3,(H,24,25)(H,26,27,30)
InChIKeyOJQQFXIVAUZCJB-UHFFFAOYSA-N
XLogP2.19
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[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-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135406554) is 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is OJQQFXIVAUZCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-3-10-33-21-5-4-15(34(31,32)29-8-6-28(2)7-9-29)11-17(21)22-26-18-13-20-19(24-14-25-20)12-16(18)23(30)27-22/h4-5,11-14H,3,6-10H2,1-2H3,(H,24,25)(H,26,27,30).
What are the key properties of 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 482.57 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135406554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).