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

C17H17N3O4 — CID 20879786

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)[nH]c3ncccc3c2=O)cc1OC
InChIInChI=1S/C17H17N3O4/c1-23-13-6-5-11(10-14(13)24-2)7-9-20-16(21)12-4-3-8-18-15(12)19-17(20)22/h3-6,8,10H,7,9H2,1-2H3,(H,18,19,22)
InChIKeyVQGVCHOGGINWPD-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.34
Rot. Bonds5

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

3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 20879786) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID20879786
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)[nH]c3ncccc3c2=O)cc1OC
InChIInChI=1S/C17H17N3O4/c1-23-13-6-5-11(10-14(13)24-2)7-9-20-16(21)12-4-3-8-18-15(12)19-17(20)22/h3-6,8,10H,7,9H2,1-2H3,(H,18,19,22)
InChIKeyVQGVCHOGGINWPD-UHFFFAOYSA-N
XLogP1.34
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879791
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]pyrido[2,3-d]pyrimidin-4-one
CID 46259888
1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27444645
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240794
2-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one
CID 41078081
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026420
methyl 4-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoyl]benzoate
CID 91818452
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-ethoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 3508708
5-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrimido[5,4-b]indol-4-one
CID 53026415
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026416

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 20879786) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(CCn2c(=O)[nH]c3ncccc3c2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VQGVCHOGGINWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-13-6-5-11(10-14(13)24-2)7-9-20-16(21)12-4-3-8-18-15(12)19-17(20)22/h3-6,8,10H,7,9H2,1-2H3,(H,18,19,22).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20879786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).