2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one

C31H27N3O3 — CID 67547660

IUPAC2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2ccc3cccnc3c2)c1OC1CCCC1
InChIInChI=1S/C31H27N3O3/c1-36-27-12-6-8-22(30(27)37-24-10-2-3-11-24)16-17-25-29(31(35)34-19-5-4-13-28(34)33-25)23-15-14-21-9-7-18-32-26(21)20-23/h4-9,12-20,24H,2-3,10-11H2,1H3/b17-16+
InChIKeyPKTUIJZPHWZKEE-WUKNDPDISA-N
MW489.58 g/mol
LogP6.41
Rot. Bonds6

About 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one

2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 67547660) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID67547660
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC Name2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2ccc3cccnc3c2)c1OC1CCCC1
InChIInChI=1S/C31H27N3O3/c1-36-27-12-6-8-22(30(27)37-24-10-2-3-11-24)16-17-25-29(31(35)34-19-5-4-13-28(34)33-25)23-15-14-21-9-7-18-32-26(21)20-23/h4-9,12-20,24H,2-3,10-11H2,1H3/b17-16+
InChIKeyPKTUIJZPHWZKEE-WUKNDPDISA-N
XLogP6.41
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-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

2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one
CID 74953970
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67548020
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 74953794
3-bromo-2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547244
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-9-methyl-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 74953973
4-[2-[2-(3-methoxy-2-pentoxyphenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzonitrile
CID 67548374
2-[2-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547698
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole
CID 141329504
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753133
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-hydroxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753387
6-[2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]benzimidazol-1-yl]pyridine-3-carboxylic acid
CID 141329500
4-[3-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-oxoisochromen-4-yl]benzonitrile
CID 67403591

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one (CID 67547660) is 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one is COc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2ccc3cccnc3c2)c1OC1CCCC1.
What is the InChIKey of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PKTUIJZPHWZKEE-WUKNDPDISA-N. The full InChI is InChI=1S/C31H27N3O3/c1-36-27-12-6-8-22(30(27)37-24-10-2-3-11-24)16-17-25-29(31(35)34-19-5-4-13-28(34)33-25)23-15-14-21-9-7-18-32-26(21)20-23/h4-9,12-20,24H,2-3,10-11H2,1H3/b17-16+.
What are the key properties of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one?
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 489.58 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67547660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).