methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C24H27N7O4 — CID 138479167

About methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 138479167) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 138479167
• Molecular Formula: C24H27N7O4
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.21
• IUPAC Name: methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)NCc3cnco3)c2CC[C@@H]1C
• InChI: InChI=1S/C24H27N7O4/c1-16-4-5-18-19(31(16)24(33)34-2)6-7-20-23(18)28-21(8-11-29-10-3-9-27-29)30(20)14-22(32)26-13-17-12-25-15-35-17/h3,6-7,9-10,12,15-16H,4-5,8,11,13-14H2,1-2H3,(H,26,32)/t16-/m0/s1
• InChIKey: JWSLIVBEYCPFIQ-INIZCTEOSA-N
• XLogP: 2.69
• TPSA: 120.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The IUPAC name of methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 138479167) is methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

What is the SMILES notation for methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)NCc3cnco3)c2CC[C@@H]1C.

What is the InChIKey of methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The InChIKey is JWSLIVBEYCPFIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-16-4-5-18-19(31(16)24(33)34-2)6-7-20-23(18)28-21(8-11-29-10-3-9-27-29)30(20)14-22(32)26-13-17-12-25-15-35-17/h3,6-7,9-10,12,15-16H,4-5,8,11,13-14H2,1-2H3,(H,26,32)/t16-/m0/s1.

What are the key properties of methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 477.53 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 138479167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).