8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C23H27N5O3 — CID 135559167

IUPAC8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESCOc1cc2nc(=O)n3c(c2cc1OC)NC(CN1CCN(c2ccccc2)CC1)C3
InChIInChI=1S/C23H27N5O3/c1-30-20-12-18-19(13-21(20)31-2)25-23(29)28-15-16(24-22(18)28)14-26-8-10-27(11-9-26)17-6-4-3-5-7-17/h3-7,12-13,16,24H,8-11,14-15H2,1-2H3
InChIKeyJOHSFSIWZIRQBI-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.03
Rot. Bonds5

About 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135559167) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135559167
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESCOc1cc2nc(=O)n3c(c2cc1OC)NC(CN1CCN(c2ccccc2)CC1)C3
InChIInChI=1S/C23H27N5O3/c1-30-20-12-18-19(13-21(20)31-2)25-23(29)28-15-16(24-22(18)28)14-26-8-10-27(11-9-26)17-6-4-3-5-7-17/h3-7,12-13,16,24H,8-11,14-15H2,1-2H3
InChIKeyJOHSFSIWZIRQBI-UHFFFAOYSA-N
XLogP2.03
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135559167) is 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is COc1cc2nc(=O)n3c(c2cc1OC)NC(CN1CCN(c2ccccc2)CC1)C3.
What is the InChIKey of 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is JOHSFSIWZIRQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-30-20-12-18-19(13-21(20)31-2)25-23(29)28-15-16(24-22(18)28)14-26-8-10-27(11-9-26)17-6-4-3-5-7-17/h3-7,12-13,16,24H,8-11,14-15H2,1-2H3.
What are the key properties of 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 421.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135559167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).