3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one

C21H21N3O4 — CID 58101140

IUPAC3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C21H21N3O4/c25-17(8-6-15-4-2-1-3-5-15)19-20(26)21(27)24-14-16(7-9-18(24)22-19)23-10-12-28-13-11-23/h1-5,7,9,14,26H,6,8,10-13H2
InChIKeyICZLOKLHEODIQG-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.05
Rot. Bonds5

About 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one

3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 58101140) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID58101140
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccccc1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C21H21N3O4/c25-17(8-6-15-4-2-1-3-5-15)19-20(26)21(27)24-14-16(7-9-18(24)22-19)23-10-12-28-13-11-23/h1-5,7,9,14,26H,6,8,10-13H2
InChIKeyICZLOKLHEODIQG-UHFFFAOYSA-N
XLogP2.05
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 58101074
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
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-(4-benzylphenyl)morpholine
CID 11514364
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347604
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91382106
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one (CID 58101140) is 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one is O=C(CCc1ccccc1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ICZLOKLHEODIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-17(8-6-15-4-2-1-3-5-15)19-20(26)21(27)24-14-16(7-9-18(24)22-19)23-10-12-28-13-11-23/h1-5,7,9,14,26H,6,8,10-13H2.
What are the key properties of 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one?
3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 379.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58101140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).