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

C20H22N6O — CID 135559169

IUPAC2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(c3ccccn3)CC1)N2
InChIInChI=1S/C20H22N6O/c27-20-23-17-6-2-1-5-16(17)19-22-15(14-26(19)20)13-24-9-11-25(12-10-24)18-7-3-4-8-21-18/h1-8,15,22H,9-14H2
InChIKeyDQJYQHHZALMZCT-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.41
Rot. Bonds3

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

2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135559169) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135559169
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(c3ccccn3)CC1)N2
InChIInChI=1S/C20H22N6O/c27-20-23-17-6-2-1-5-16(17)19-22-15(14-26(19)20)13-24-9-11-25(12-10-24)18-7-3-4-8-21-18/h1-8,15,22H,9-14H2
InChIKeyDQJYQHHZALMZCT-UHFFFAOYSA-N
XLogP1.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135559169) is 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(c3ccccn3)CC1)N2.
What is the InChIKey of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is DQJYQHHZALMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20-23-17-6-2-1-5-16(17)19-22-15(14-26(19)20)13-24-9-11-25(12-10-24)18-7-3-4-8-21-18/h1-8,15,22H,9-14H2.
What are the key properties of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 362.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135559169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).