1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione

C24H22ClN3O4 — CID 27444645

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)c3ncccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC
InChIInChI=1S/C24H22ClN3O4/c1-31-20-9-8-16(14-21(20)32-2)10-12-27-23(29)22-19(7-4-11-26-22)28(24(27)30)15-17-5-3-6-18(25)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3
InChIKeyGJRACCPMDYGRBZ-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.52
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione

1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 27444645) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID27444645
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)c3ncccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC
InChIInChI=1S/C24H22ClN3O4/c1-31-20-9-8-16(14-21(20)32-2)10-12-27-23(29)22-19(7-4-11-26-22)28(24(27)30)15-17-5-3-6-18(25)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3
InChIKeyGJRACCPMDYGRBZ-UHFFFAOYSA-N
XLogP3.52
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240794
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879791
N-(3-chloro-4-methylphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240826
3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569435
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 27444630
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27444620
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41233512
3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879786
5-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrimido[5,4-b]indol-4-one
CID 53026415

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 27444645) is 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione is COc1ccc(CCn2c(=O)c3ncccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GJRACCPMDYGRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-31-20-9-8-16(14-21(20)32-2)10-12-27-23(29)22-19(7-4-11-26-22)28(24(27)30)15-17-5-3-6-18(25)13-17/h3-9,11,13-14H,10,12,15H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 451.91 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 27444645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).