2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one

C25H21N2O2+ — CID 110272969

IUPAC2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one
SMILESO=c1c(Cc2ccccc2)c(O)[n+]2c(n1-c1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C25H20N2O2/c28-24-21(17-18-9-3-1-4-10-18)25(29)27-22-14-8-7-11-19(22)15-16-23(27)26(24)20-12-5-2-6-13-20/h1-14H,15-17H2/p+1
InChIKeyQJRRDXRKDSBVAW-UHFFFAOYSA-O
MW381.46 g/mol
LogP3.51
Rot. Bonds3

About 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one

2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one (PubChem CID 110272969) has the molecular formula C25H21N2O2+ and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one.

Molecular Properties

Compound Name2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one
PubChem CID110272969
Molecular FormulaC25H21N2O2+
Molecular Weight381.46 g/mol
Exact Mass381.16
IUPAC Name2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one
SMILESO=c1c(Cc2ccccc2)c(O)[n+]2c(n1-c1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C25H20N2O2/c28-24-21(17-18-9-3-1-4-10-18)25(29)27-22-14-8-7-11-19(22)15-16-23(27)26(24)20-12-5-2-6-13-20/h1-14H,15-17H2/p+1
InChIKeyQJRRDXRKDSBVAW-UHFFFAOYSA-O
XLogP3.51
TPSA46.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione
CID 90362075
3-ethyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-5-ium-2-one
CID 2786378
5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
CID 1037172
1-benzyl-6-hydroxy-5-(naphthalen-2-ylmethyl)-3-phenylpyrimidine-2,4-dione
CID 123545313
4-hydroxy-3-methyl-1-phenyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-5-ium-2-one
CID 134875827
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 13243149
3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one
CID 54735024
3-benzyl-2-hydroxy-1-(3-methoxyphenyl)-7-methylpyrimido[1,2-b]pyridazin-1-ium-4-one
CID 110273693
5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
CID 154085346
1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 91572460
4-benzyl-3-phenyl-1,3-oxazol-2-one
CID 138858082
3-benzyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 136756841

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one?
The IUPAC name of 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one (CID 110272969) is 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one.
What is the SMILES notation for 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one?
The canonical SMILES for 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one is O=c1c(Cc2ccccc2)c(O)[n+]2c(n1-c1ccccc1)CCc1ccccc1-2.
What is the InChIKey of 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one?
The InChIKey is QJRRDXRKDSBVAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H20N2O2/c28-24-21(17-18-9-3-1-4-10-18)25(29)27-22-14-8-7-11-19(22)15-16-23(27)26(24)20-12-5-2-6-13-20/h1-14H,15-17H2/p+1.
What are the key properties of 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one?
2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one has a molecular weight of 381.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-hydroxy-4-phenyl-5,6-dihydropyrimido[1,2-a]quinolin-11-ium-3-one is sourced from PubChem (CID 110272969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).