(7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C24H31N7O3 — CID 174207789

About (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

(7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174207789) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

• Compound Name: (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• PubChem CID: 174207789
• Molecular Formula: C24H31N7O3
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.25
• IUPAC Name: (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• SMILES: C[C@H]1CCc2c(ccc3c2nc(CCn2cccn2)n3CCN2CC[C@H](C(N)=O)C2)N1C(=O)O
• InChI: InChI=1S/C24H31N7O3/c1-16-3-4-18-19(31(16)24(33)34)5-6-20-22(18)27-21(8-12-29-10-2-9-26-29)30(20)14-13-28-11-7-17(15-28)23(25)32/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3,(H2,25,32)(H,33,34)/t16-,17-/m0/s1
• InChIKey: GQDXTHUHYJLHBI-IRXDYDNUSA-N
• XLogP: 2.10
• TPSA: 122.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174207789) is (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

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

The canonical SMILES for (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is C[C@H]1CCc2c(ccc3c2nc(CCn2cccn2)n3CCN2CC[C@H](C(N)=O)C2)N1C(=O)O.

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

The InChIKey is GQDXTHUHYJLHBI-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-16-3-4-18-19(31(16)24(33)34)5-6-20-22(18)27-21(8-12-29-10-2-9-26-29)30(20)14-13-28-11-7-17(15-28)23(25)32/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3,(H2,25,32)(H,33,34)/t16-,17-/m0/s1.

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

(7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 465.56 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 174207789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).