7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide

C26H21FN4O3 — CID 90919199

About 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide

7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 90919199) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide
• PubChem CID: 90919199
• Molecular Formula: C26H21FN4O3
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.16
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide
• SMILES: CC(NC(=O)c1c2cccnc2c(O)c2c(O)n(Cc3ccc(F)cc3)cc12)c1cccnc1
• InChI: InChI=1S/C26H21FN4O3/c1-15(17-4-2-10-28-12-17)30-25(33)21-19-5-3-11-29-23(19)24(32)22-20(21)14-31(26(22)34)13-16-6-8-18(27)9-7-16/h2-12,14-15,32,34H,13H2,1H3,(H,30,33)
• InChIKey: LHFJRAUDPMNWHA-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 100.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide (CID 90919199) is 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide is CC(NC(=O)c1c2cccnc2c(O)c2c(O)n(Cc3ccc(F)cc3)cc12)c1cccnc1.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide?

The InChIKey is LHFJRAUDPMNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-15(17-4-2-10-28-12-17)30-25(33)21-19-5-3-11-29-23(19)24(32)22-20(21)14-31(26(22)34)13-16-6-8-18(27)9-7-16/h2-12,14-15,32,34H,13H2,1H3,(H,30,33).

What are the key properties of 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide?

7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-8,9-dihydroxy-N-(1-pyridin-3-ylethyl)pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 90919199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).