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

C22H24ClN5O — CID 14955545

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCN1C(=O)N2CC(CN3CCN(c4ccccc4Cl)CC3)N=C2c2ccccc21
InChIInChI=1S/C22H24ClN5O/c1-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22(25)29)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3
InChIKeyMIJYFBWNBRIYHZ-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.16
Rot. Bonds3

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

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (PubChem CID 14955545) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
PubChem CID14955545
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCN1C(=O)N2CC(CN3CCN(c4ccccc4Cl)CC3)N=C2c2ccccc21
InChIInChI=1S/C22H24ClN5O/c1-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22(25)29)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3
InChIKeyMIJYFBWNBRIYHZ-UHFFFAOYSA-N
XLogP3.16
TPSA42.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (CID 14955545) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is CN1C(=O)N2CC(CN3CCN(c4ccccc4Cl)CC3)N=C2c2ccccc21.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The InChIKey is MIJYFBWNBRIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22(25)29)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one has a molecular weight of 409.92 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 14955545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).