3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C21H23N5O — CID 135860517

IUPAC3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1C(CN1CCN(c3ccccc3)CC1)CN2
InChIInChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-14-17(26(20)21)15-24-10-12-25(13-11-24)16-6-2-1-3-7-16/h1-9,17,22H,10-15H2
InChIKeyACGPUDNVFRCYLW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.19
Rot. Bonds3

About 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135860517) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135860517
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1C(CN1CCN(c3ccccc3)CC1)CN2
InChIInChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-14-17(26(20)21)15-24-10-12-25(13-11-24)16-6-2-1-3-7-16/h1-9,17,22H,10-15H2
InChIKeyACGPUDNVFRCYLW-UHFFFAOYSA-N
XLogP2.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
CID 4367545
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 136268778
2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135481783
2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazoline-5-thione
CID 135559165
8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135559167
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
2-{[4-(3-chlorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2767229
2-{[4-(4-fluorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768856
1-{8-Methyl-1H-pyrrolo[3,2-H]quinoline-2-carbonyl}-4-phenylpiperazine
CID 135410461
US10343992, Example 135
CID 134363551
2-{[4-(2-fluorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768857

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135860517) is 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1C(CN1CCN(c3ccccc3)CC1)CN2.
What is the InChIKey of 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is ACGPUDNVFRCYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-14-17(26(20)21)15-24-10-12-25(13-11-24)16-6-2-1-3-7-16/h1-9,17,22H,10-15H2.
What are the key properties of 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 361.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135860517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).