2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C26H27ClN4 — CID 11618861

About 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 11618861) has the molecular formula C26H27ClN4 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

• Compound Name: 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
• PubChem CID: 11618861
• Molecular Formula: C26H27ClN4
• Molecular Weight: 430.98 g/mol
• Exact Mass: 430.19
• IUPAC Name: 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
• SMILES: C[C@@H]1CCCN1CCc1ccc2nc(-c3c(-c4ccccc4)nn(C)c3Cl)ccc2c1
• InChI: InChI=1S/C26H27ClN4/c1-18-7-6-15-31(18)16-14-19-10-12-22-21(17-19)11-13-23(28-22)24-25(29-30(2)26(24)27)20-8-4-3-5-9-20/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
• InChIKey: BHVLKNXTDWOMMA-GOSISDBHSA-N
• XLogP: 5.98
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.98
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?

The IUPAC name of 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 11618861) is 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

What is the SMILES notation for 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?

The canonical SMILES for 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3c(-c4ccccc4)nn(C)c3Cl)ccc2c1.

What is the InChIKey of 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?

The InChIKey is BHVLKNXTDWOMMA-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27ClN4/c1-18-7-6-15-31(18)16-14-19-10-12-22-21(17-19)11-13-23(28-22)24-25(29-30(2)26(24)27)20-8-4-3-5-9-20/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1.

What are the key properties of 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?

2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 430.98 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 11618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).