2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C30H25Cl2N3O2 — CID 157027353

About 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 157027353) has the molecular formula C30H25Cl2N3O2 and a molecular weight of 530.46 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 157027353
• Molecular Formula: C30H25Cl2N3O2
• Molecular Weight: 530.46 g/mol
• Exact Mass: 529.13
• IUPAC Name: 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C(Cc1cccc(-c2cccc(Cl)c2)c1)N1CCc2nc(C3(c4cccc(Cl)c4)CC3)[nH]c(=O)c2C1
• InChI: InChI=1S/C30H25Cl2N3O2/c31-23-8-2-6-21(16-23)20-5-1-4-19(14-20)15-27(36)35-13-10-26-25(18-35)28(37)34-29(33-26)30(11-12-30)22-7-3-9-24(32)17-22/h1-9,14,16-17H,10-13,15,18H2,(H,33,34,37)
• InChIKey: WAUDDVUDRHSNRZ-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.46
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 157027353) is 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(Cc1cccc(-c2cccc(Cl)c2)c1)N1CCc2nc(C3(c4cccc(Cl)c4)CC3)[nH]c(=O)c2C1.

What is the InChIKey of 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is WAUDDVUDRHSNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2N3O2/c31-23-8-2-6-21(16-23)20-5-1-4-19(14-20)15-27(36)35-13-10-26-25(18-35)28(37)34-29(33-26)30(11-12-30)22-7-3-9-24(32)17-22/h1-9,14,16-17H,10-13,15,18H2,(H,33,34,37).

What are the key properties of 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 530.46 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3-chlorophenyl)cyclopropyl]-6-[2-[3-(3-chlorophenyl)phenyl]acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 157027353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).