7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one

C17H14ClN3O2 — CID 23284488

IUPAC7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(C)=O)nc21
InChIInChI=1S/C17H14ClN3O2/c1-3-21-16-13(7-8-14(19-16)10(2)22)15(20-17(21)23)11-5-4-6-12(18)9-11/h4-9H,3H2,1-2H3
InChIKeyUETAREIWOGXUNG-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.33
Rot. Bonds3

About 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one

7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 23284488) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
PubChem CID23284488
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(C)=O)nc21
InChIInChI=1S/C17H14ClN3O2/c1-3-21-16-13(7-8-14(19-16)10(2)22)15(20-17(21)23)11-5-4-6-12(18)9-11/h4-9H,3H2,1-2H3
InChIKeyUETAREIWOGXUNG-UHFFFAOYSA-N
XLogP3.33
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one (CID 23284488) is 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one is CCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(C)=O)nc21.
What is the InChIKey of 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UETAREIWOGXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-3-21-16-13(7-8-14(19-16)10(2)22)15(20-17(21)23)11-5-4-6-12(18)9-11/h4-9H,3H2,1-2H3.
What are the key properties of 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 327.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 23284488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).