5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C18H16N4O4 — CID 135645683

IUPAC5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C18H16N4O4/c23-17-15-12(11-1-2-13-14(9-11)26-10-25-13)3-4-19-16(15)20-18(21-17)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,19,20,21,23)
InChIKeyNSRDPMJJJVXOJA-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.55
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one

5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135645683) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135645683
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C18H16N4O4/c23-17-15-12(11-1-2-13-14(9-11)26-10-25-13)3-4-19-16(15)20-18(21-17)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,19,20,21,23)
InChIKeyNSRDPMJJJVXOJA-UHFFFAOYSA-N
XLogP1.55
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
CID 135894972
5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135646531
5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135659156
5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 40900457
5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630025
9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135646723
5-(1,3-benzodioxol-5-yl)-1-(3-methoxypropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17160095
2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904323
5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904358
(9R)-9-(4-chlorophenyl)-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135904365
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135515832
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135645683) is 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc4c(c3)OCO4)c12.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is NSRDPMJJJVXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-17-15-12(11-1-2-13-14(9-11)26-10-25-13)3-4-19-16(15)20-18(21-17)22-5-7-24-8-6-22/h1-4,9H,5-8,10H2,(H,19,20,21,23).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 352.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135645683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).