3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide

C30H23N5O3 — CID 159956886

About 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide

3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide (PubChem CID 159956886) has the molecular formula C30H23N5O3 and a molecular weight of 501.55 g/mol. Its IUPAC name is 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
• PubChem CID: 159956886
• Molecular Formula: C30H23N5O3
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.18
• IUPAC Name: 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
• SMILES: CNC(=O)c1cc2c(cn1)Cc1c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2
• InChI: InChI=1S/C30H23N5O3/c1-16-18(7-5-9-26(16)35-15-34-24-8-4-3-6-21(24)30(35)38)19-10-11-20(28(31)36)23-12-17-14-33-25(29(37)32-2)13-22(17)27(19)23/h3-11,13-15H,12H2,1-2H3,(H2,31,36)(H,32,37)
• InChIKey: OCVFSNOSCITLAU-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 119.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide?

The IUPAC name of 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide (CID 159956886) is 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide.

What is the SMILES notation for 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide?

The canonical SMILES for 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide is CNC(=O)c1cc2c(cn1)Cc1c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c1-2.

What is the InChIKey of 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide?

The InChIKey is OCVFSNOSCITLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O3/c1-16-18(7-5-9-26(16)35-15-34-24-8-4-3-6-21(24)30(35)38)19-10-11-20(28(31)36)23-12-17-14-33-25(29(37)32-2)13-22(17)27(19)23/h3-11,13-15H,12H2,1-2H3,(H2,31,36)(H,32,37).

What are the key properties of 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide?

3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide has a molecular weight of 501.55 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 159956886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).