[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate

C24H20N4O4 — CID 135894972

IUPAC[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
SMILESO=C(Oc1ccc(-c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)cc1)c1ccccc1
InChIInChI=1S/C24H20N4O4/c29-22-20-19(10-11-25-21(20)26-24(27-22)28-12-14-31-15-13-28)16-6-8-18(9-7-16)32-23(30)17-4-2-1-3-5-17/h1-11H,12-15H2,(H,25,26,27,29)
InChIKeySMIYQSIVIWSTIW-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.04
Rot. Bonds4

About [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate

[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate (PubChem CID 135894972) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
PubChem CID135894972
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
SMILESO=C(Oc1ccc(-c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)cc1)c1ccccc1
InChIInChI=1S/C24H20N4O4/c29-22-20-19(10-11-25-21(20)26-24(27-22)28-12-14-31-15-13-28)16-6-8-18(9-7-16)32-23(30)17-4-2-1-3-5-17/h1-11H,12-15H2,(H,25,26,27,29)
InChIKeySMIYQSIVIWSTIW-UHFFFAOYSA-N
XLogP3.04
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135659156
[4-[2-(4-methylpiperidin-1-yl)-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl]phenyl] acetate
CID 135904353
5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135645683
5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135646531
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
9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135646723
[4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 780934
2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904333
(9R)-9-(4-chlorophenyl)-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135904365
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
4-amino-5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 165482098

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate?
The IUPAC name of [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate (CID 135894972) is [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate.
What is the SMILES notation for [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate?
The canonical SMILES for [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate is O=C(Oc1ccc(-c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)cc1)c1ccccc1.
What is the InChIKey of [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate?
The InChIKey is SMIYQSIVIWSTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-22-20-19(10-11-25-21(20)26-24(27-22)28-12-14-31-15-13-28)16-6-8-18(9-7-16)32-23(30)17-4-2-1-3-5-17/h1-11H,12-15H2,(H,25,26,27,29).
What are the key properties of [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate?
[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate has a molecular weight of 428.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate is sourced from PubChem (CID 135894972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).