3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C27H35N5O4 — CID 174206538

About 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174206538) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• PubChem CID: 174206538
• Molecular Formula: C27H35N5O4
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.27
• IUPAC Name: 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• SMILES: CC1CCc2c(ccc3c2nc(CCn2ccccc2=O)n3CCN2CCC(CO)CC2)N1C(=O)O
• InChI: InChI=1S/C27H35N5O4/c1-19-5-6-21-22(32(19)27(35)36)7-8-23-26(21)28-24(11-15-30-12-3-2-4-25(30)34)31(23)17-16-29-13-9-20(18-33)10-14-29/h2-4,7-8,12,19-20,33H,5-6,9-11,13-18H2,1H3,(H,35,36)
• InChIKey: LFVOVIUHQPEGDM-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 103.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

The IUPAC name of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174206538) is 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

What is the SMILES notation for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

The canonical SMILES for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is CC1CCc2c(ccc3c2nc(CCn2ccccc2=O)n3CCN2CCC(CO)CC2)N1C(=O)O.

What is the InChIKey of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

The InChIKey is LFVOVIUHQPEGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-19-5-6-21-22(32(19)27(35)36)7-8-23-26(21)28-24(11-15-30-12-3-2-4-25(30)34)31(23)17-16-29-13-9-20(18-33)10-14-29/h2-4,7-8,12,19-20,33H,5-6,9-11,13-18H2,1H3,(H,35,36).

What are the key properties of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 493.61 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 174206538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).