7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H14ClN3O2 — CID 136507751

IUPAC7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(Cc1ccc(Cl)cc1)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C15H14ClN3O2/c16-11-3-1-10(2-4-11)7-14(20)19-6-5-12-13(8-19)17-9-18-15(12)21/h1-4,9H,5-8H2,(H,17,18,21)
InChIKeyUNCDJZHERANEEZ-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.55
Rot. Bonds2

About 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136507751) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136507751
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(Cc1ccc(Cl)cc1)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C15H14ClN3O2/c16-11-3-1-10(2-4-11)7-14(20)19-6-5-12-13(8-19)17-9-18-15(12)21/h1-4,9H,5-8H2,(H,17,18,21)
InChIKeyUNCDJZHERANEEZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136507751) is 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(Cc1ccc(Cl)cc1)N1CCc2c(nc[nH]c2=O)C1.
What is the InChIKey of 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UNCDJZHERANEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-3-1-10(2-4-11)7-14(20)19-6-5-12-13(8-19)17-9-18-15(12)21/h1-4,9H,5-8H2,(H,17,18,21).
What are the key properties of 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 303.75 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136507751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).