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

C22H25N5O — CID 14955558

IUPAC6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCN1C(=O)N2C(=NCC2CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N5O/c1-24-20-10-6-5-9-19(20)21-23-15-18(27(21)22(24)28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyDDBDQJLGWORGPW-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.51
Rot. Bonds3

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

6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (PubChem CID 14955558) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
PubChem CID14955558
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCN1C(=O)N2C(=NCC2CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N5O/c1-24-20-10-6-5-9-19(20)21-23-15-18(27(21)22(24)28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyDDBDQJLGWORGPW-UHFFFAOYSA-N
XLogP2.51
TPSA42.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (CID 14955558) is 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is CN1C(=O)N2C(=NCC2CN2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The InChIKey is DDBDQJLGWORGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-24-20-10-6-5-9-19(20)21-23-15-18(27(21)22(24)28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3.
What are the key properties of 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one has a molecular weight of 375.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 14955558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).