4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C16H11ClF3N3O — CID 23284512

IUPAC4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H11ClF3N3O/c1-2-23-14-11(6-7-12(21-14)16(18,19)20)13(22-15(23)24)9-4-3-5-10(17)8-9/h3-8H,2H2,1H3
InChIKeyCTQGKSYVZBSBNP-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.15
Rot. Bonds2

About 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 23284512) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID23284512
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H11ClF3N3O/c1-2-23-14-11(6-7-12(21-14)16(18,19)20)13(22-15(23)24)9-4-3-5-10(17)8-9/h3-8H,2H2,1H3
InChIKeyCTQGKSYVZBSBNP-UHFFFAOYSA-N
XLogP4.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 23284512) is 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is CTQGKSYVZBSBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c1-2-23-14-11(6-7-12(21-14)16(18,19)20)13(22-15(23)24)9-4-3-5-10(17)8-9/h3-8H,2H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 353.73 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 23284512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).