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

C23H25N5O2 — CID 10501354

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cn3c(=O)n(C)c4ccccc4c3n2)CC1
InChIInChI=1S/C23H25N5O2/c1-25-19-8-4-3-7-18(19)22-24-17(16-28(22)23(25)29)15-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,16H,11-15H2,1-2H3
InChIKeyHXLLCJGRHWUPQE-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.52
Rot. Bonds4

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

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one (PubChem CID 10501354) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
PubChem CID10501354
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(Cc2cn3c(=O)n(C)c4ccccc4c3n2)CC1
InChIInChI=1S/C23H25N5O2/c1-25-19-8-4-3-7-18(19)22-24-17(16-28(22)23(25)29)15-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,16H,11-15H2,1-2H3
InChIKeyHXLLCJGRHWUPQE-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 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one (CID 10501354) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one is COc1ccccc1N1CCN(Cc2cn3c(=O)n(C)c4ccccc4c3n2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The InChIKey is HXLLCJGRHWUPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-25-19-8-4-3-7-18(19)22-24-17(16-28(22)23(25)29)15-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
2-[[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 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 10501354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).