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

C22H18ClN3O3 — CID 20879741

IUPAC3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)c1
InChIInChI=1S/C22H18ClN3O3/c1-29-17-8-4-6-15(12-17)13-25-20-18(9-5-11-24-20)21(27)26(22(25)28)14-16-7-2-3-10-19(16)23/h2-12H,13-14H2,1H3
InChIKeyJZSBDQVOCFYCPY-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.32
Rot. Bonds5

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

3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 20879741) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID20879741
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)c1
InChIInChI=1S/C22H18ClN3O3/c1-29-17-8-4-6-15(12-17)13-25-20-18(9-5-11-24-20)21(27)26(22(25)28)14-16-7-2-3-10-19(16)23/h2-12H,13-14H2,1H3
InChIKeyJZSBDQVOCFYCPY-UHFFFAOYSA-N
XLogP3.32
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879902
ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
CID 6619883
5-[(2-chlorophenyl)methyl]-4-[(3-methoxyphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 50769887
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
1-benzyl-3-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione
CID 46061582
7-[(2-chlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)purine-2,6-dione
CID 46061586
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879791
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 20879741) is 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1cccc(Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3cccnc32)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JZSBDQVOCFYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-29-17-8-4-6-15(12-17)13-25-20-18(9-5-11-24-20)21(27)26(22(25)28)14-16-7-2-3-10-19(16)23/h2-12H,13-14H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 407.86 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20879741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).