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

C26H31N5O5 — CID 174208791

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

(7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174208791) has the molecular formula C26H31N5O5 and a molecular weight of 493.56 g/mol. Its IUPAC name is (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-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: (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• PubChem CID: 174208791
• Molecular Formula: C26H31N5O5
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.23
• IUPAC Name: (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• SMILES: C[C@H]1CCc2c(ccc3c2nc(CCn2ccccc2=O)n3CC(=O)N2CCC(O)CC2)N1C(=O)O
• InChI: InChI=1S/C26H31N5O5/c1-17-5-6-19-20(31(17)26(35)36)7-8-21-25(19)27-22(11-15-28-12-3-2-4-23(28)33)30(21)16-24(34)29-13-9-18(32)10-14-29/h2-4,7-8,12,17-18,32H,5-6,9-11,13-16H2,1H3,(H,35,36)/t17-/m0/s1
• InChIKey: PKRHVYVPHOXJEY-KRWDZBQOSA-N
• XLogP: 2.24
• TPSA: 120.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-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 (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174208791) is (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-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 (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-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 (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is C[C@H]1CCc2c(ccc3c2nc(CCn2ccccc2=O)n3CC(=O)N2CCC(O)CC2)N1C(=O)O.

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

The InChIKey is PKRHVYVPHOXJEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N5O5/c1-17-5-6-19-20(31(17)26(35)36)7-8-21-25(19)27-22(11-15-28-12-3-2-4-23(28)33)30(21)16-24(34)29-13-9-18(32)10-14-29/h2-4,7-8,12,17-18,32H,5-6,9-11,13-16H2,1H3,(H,35,36)/t17-/m0/s1.

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

(7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-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 493.56 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-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 174208791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).