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

C16H14ClN3O4 — CID 174236060

IUPAC3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)n(Cl)c(=O)c3cnccc32)c(OC)c1
InChIInChI=1S/C16H14ClN3O4/c1-23-11-4-3-10(14(7-11)24-2)9-19-13-5-6-18-8-12(13)15(21)20(17)16(19)22/h3-8H,9H2,1-2H3
InChIKeyOYIXRLSQEHDDLR-UHFFFAOYSA-N
MW347.76 g/mol
LogP1.63
Rot. Bonds4

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

3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 174236060) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID174236060
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)n(Cl)c(=O)c3cnccc32)c(OC)c1
InChIInChI=1S/C16H14ClN3O4/c1-23-11-4-3-10(14(7-11)24-2)9-19-13-5-6-18-8-12(13)15(21)20(17)16(19)22/h3-8H,9H2,1-2H3
InChIKeyOYIXRLSQEHDDLR-UHFFFAOYSA-N
XLogP1.63
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]acetamide
CID 53001236
1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 174222572
1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
CID 59699622
2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one
CID 154462544
1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 152535816
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
1-[(2,4-dimethoxyphenyl)methyl]-2H-tetrazole-5-thione
CID 63363129
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
4-[(2,4-dimethoxyphenyl)methyl]-7-(3-fluoropropyl)pyrido[2,3-c]carbazol-3-one
CID 90459585
4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione
CID 154663192
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione (CID 174236060) is 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)n(Cl)c(=O)c3cnccc32)c(OC)c1.
What is the InChIKey of 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is OYIXRLSQEHDDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-23-11-4-3-10(14(7-11)24-2)9-19-13-5-6-18-8-12(13)15(21)20(17)16(19)22/h3-8H,9H2,1-2H3.
What are the key properties of 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione?
3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 347.76 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 174236060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).