1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one

C14H11N3O2 — CID 901917

IUPAC1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-n2cnc(=O)c3cccnc32)c1
InChIInChI=1S/C14H11N3O2/c1-19-11-5-2-4-10(8-11)17-9-16-14(18)12-6-3-7-15-13(12)17/h2-9H,1H3
InChIKeyCRFYDBPGXHJDEL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.79
Rot. Bonds2

About 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one

1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 901917) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID901917
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-n2cnc(=O)c3cccnc32)c1
InChIInChI=1S/C14H11N3O2/c1-19-11-5-2-4-10(8-11)17-9-16-14(18)12-6-3-7-15-13(12)17/h2-9H,1H3
InChIKeyCRFYDBPGXHJDEL-UHFFFAOYSA-N
XLogP1.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 901917) is 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one is COc1cccc(-n2cnc(=O)c3cccnc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CRFYDBPGXHJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-11-5-2-4-10(8-11)17-9-16-14(18)12-6-3-7-15-13(12)17/h2-9H,1H3.
What are the key properties of 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 901917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).