2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C21H19Cl2N3O4 — CID 58101074

IUPAC2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C21H19Cl2N3O4/c22-15-4-1-13(11-16(15)23)2-5-17(27)19-20(28)21(29)26-12-14(3-6-18(26)24-19)25-7-9-30-10-8-25/h1,3-4,6,11-12,28H,2,5,7-10H2
InChIKeyYOEVTIOCCDKAFD-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 58101074) has the molecular formula C21H19Cl2N3O4 and a molecular weight of 448.31 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID58101074
Molecular FormulaC21H19Cl2N3O4
Molecular Weight448.31 g/mol
Exact Mass447.08
IUPAC Name2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C21H19Cl2N3O4/c22-15-4-1-13(11-16(15)23)2-5-17(27)19-20(28)21(29)26-12-14(3-6-18(26)24-19)25-7-9-30-10-8-25/h1,3-4,6,11-12,28H,2,5,7-10H2
InChIKeyYOEVTIOCCDKAFD-UHFFFAOYSA-N
XLogP3.36
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-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-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 58101076
3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one
CID 58101140
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
N-[(3-chloro-2-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide;(4-fluorophenyl)methanamine
CID 172751798
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682024
3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136597975
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
CID 147134595
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 158459916
3-butoxy-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 70794623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 58101074) is 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is O=C(CCc1ccc(Cl)c(Cl)c1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YOEVTIOCCDKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O4/c22-15-4-1-13(11-16(15)23)2-5-17(27)19-20(28)21(29)26-12-14(3-6-18(26)24-19)25-7-9-30-10-8-25/h1,3-4,6,11-12,28H,2,5,7-10H2.
What are the key properties of 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 448.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58101074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).