2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H26N4O6 — CID 135578157

IUPAC2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cc(C(=O)N2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)cc(OC)c1OC
InChIInChI=1S/C21H26N4O6/c1-28-16-10-13(11-17(29-2)18(16)30-3)20(27)25-5-4-15-14(12-25)19(26)23-21(22-15)24-6-8-31-9-7-24/h10-11H,4-9,12H2,1-3H3,(H,22,23,26)
InChIKeyKNBIJCAAACMOAC-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.83
Rot. Bonds5

About 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135578157) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135578157
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cc(C(=O)N2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)cc(OC)c1OC
InChIInChI=1S/C21H26N4O6/c1-28-16-10-13(11-17(29-2)18(16)30-3)20(27)25-5-4-15-14(12-25)19(26)23-21(22-15)24-6-8-31-9-7-24/h10-11H,4-9,12H2,1-3H3,(H,22,23,26)
InChIKeyKNBIJCAAACMOAC-UHFFFAOYSA-N
XLogP0.83
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3,4-dimethoxybenzoyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707059
(3,4-dimethoxyphenyl)-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855709
7-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136735468
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 135737751
6-(3,5-difluorobenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058255
1-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-5-one
CID 110727928
[4-(2-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
CID 46073619
7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719643
(3,5-dimethoxyphenyl)-[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871255
N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526475
(2-methoxyphenyl)-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787779
6-(2-methoxybenzoyl)-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135444035

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135578157) is 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cc(C(=O)N2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)cc(OC)c1OC.
What is the InChIKey of 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KNBIJCAAACMOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-28-16-10-13(11-17(29-2)18(16)30-3)20(27)25-5-4-15-14(12-25)19(26)23-21(22-15)24-6-8-31-9-7-24/h10-11H,4-9,12H2,1-3H3,(H,22,23,26).
What are the key properties of 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 430.46 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135578157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).