3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one

C23H25N5O2 — CID 10763695

IUPAC3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cnc3c4ccccc4n(C)c(=O)n23)CC1
InChIInChI=1S/C23H25N5O2/c1-25-19-8-4-3-7-18(19)22-24-15-17(28(22)23(25)29)16-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyROPSHEPQGNCQPD-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.52
Rot. Bonds4

About 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one

3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one (PubChem CID 10763695) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
PubChem CID10763695
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cnc3c4ccccc4n(C)c(=O)n23)CC1
InChIInChI=1S/C23H25N5O2/c1-25-19-8-4-3-7-18(19)22-24-15-17(28(22)23(25)29)16-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyROPSHEPQGNCQPD-UHFFFAOYSA-N
XLogP2.52
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one (CID 10763695) is 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one is COc1ccccc1N1CCN(Cc2cnc3c4ccccc4n(C)c(=O)n23)CC1.
What is the InChIKey of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The InChIKey is ROPSHEPQGNCQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-25-19-8-4-3-7-18(19)22-24-15-17(28(22)23(25)29)16-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one has a molecular weight of 403.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 10763695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).