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

C22H22ClN5O — CID 10597553

IUPAC3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
SMILESCn1c(=O)n2c(CN3CCN(c4ccccc4Cl)CC3)cnc2c2ccccc21
InChIInChI=1S/C22H22ClN5O/c1-25-19-8-4-2-6-17(19)21-24-14-16(28(21)22(25)29)15-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,14H,10-13,15H2,1H3
InChIKeyTZHXEADIXMRVSQ-UHFFFAOYSA-N
MW407.91 g/mol
LogP3.16
Rot. Bonds3

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

3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one (PubChem CID 10597553) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
PubChem CID10597553
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one
SMILESCn1c(=O)n2c(CN3CCN(c4ccccc4Cl)CC3)cnc2c2ccccc21
InChIInChI=1S/C22H22ClN5O/c1-25-19-8-4-2-6-17(19)21-24-14-16(28(21)22(25)29)15-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,14H,10-13,15H2,1H3
InChIKeyTZHXEADIXMRVSQ-UHFFFAOYSA-N
XLogP3.16
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one (CID 10597553) is 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one is Cn1c(=O)n2c(CN3CCN(c4ccccc4Cl)CC3)cnc2c2ccccc21.
What is the InChIKey of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
The InChIKey is TZHXEADIXMRVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-25-19-8-4-2-6-17(19)21-24-14-16(28(21)22(25)29)15-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one?
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one has a molecular weight of 407.91 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 10597553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).