3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

C28H26N4O4 — CID 53096944

IUPAC3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC=Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCOCC4)cc(C)nc3n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C28H26N4O4/c1-3-20-9-11-21(12-10-20)18-31-27(34)24-23(26(33)30-13-15-36-16-14-30)17-19(2)29-25(24)32(28(31)35)22-7-5-4-6-8-22/h3-12,17H,1,13-16,18H2,2H3
InChIKeySNYFCJVGOHAIEZ-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.02
Rot. Bonds5

About 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 53096944) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID53096944
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC=Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCOCC4)cc(C)nc3n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C28H26N4O4/c1-3-20-9-11-21(12-10-20)18-31-27(34)24-23(26(33)30-13-15-36-16-14-30)17-19(2)29-25(24)32(28(31)35)22-7-5-4-6-8-22/h3-12,17H,1,13-16,18H2,2H3
InChIKeySNYFCJVGOHAIEZ-UHFFFAOYSA-N
XLogP3.02
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-3-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251423
3-(2,1,3-benzoxadiazol-5-ylmethyl)-7-methyl-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251342
3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251417
3-[(3-methoxyphenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 53096930
N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
N-tert-butyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17251348
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096937
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728
4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione
CID 46004301
methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250699
3-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 3872635
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 53096944) is 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is C=Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCOCC4)cc(C)nc3n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SNYFCJVGOHAIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-3-20-9-11-21(12-10-20)18-31-27(34)24-23(26(33)30-13-15-36-16-14-30)17-19(2)29-25(24)32(28(31)35)22-7-5-4-6-8-22/h3-12,17H,1,13-16,18H2,2H3.
What are the key properties of 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 482.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methyl]-7-methyl-5-(morpholine-4-carbonyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53096944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).