5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide

C26H26N4O — CID 108788903

About 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide

5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 108788903) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide
• PubChem CID: 108788903
• Molecular Formula: C26H26N4O
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.21
• IUPAC Name: 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)NC(C)c2ccc3c(c2)CCCC3)cnn1-c1ccc2ccccc2n1
• InChI: InChI=1S/C26H26N4O/c1-17(21-12-11-19-7-3-4-9-22(19)15-21)28-26(31)23-16-27-30(18(23)2)25-14-13-20-8-5-6-10-24(20)29-25/h5-6,8,10-17H,3-4,7,9H2,1-2H3,(H,28,31)
• InChIKey: QRQDGWDZOQRHOU-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide (CID 108788903) is 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC(C)c2ccc3c(c2)CCCC3)cnn1-c1ccc2ccccc2n1.

What is the InChIKey of 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide?

The InChIKey is QRQDGWDZOQRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-17(21-12-11-19-7-3-4-9-22(19)15-21)28-26(31)23-16-27-30(18(23)2)25-14-13-20-8-5-6-10-24(20)29-25/h5-6,8,10-17H,3-4,7,9H2,1-2H3,(H,28,31).

What are the key properties of 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide?

5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 108788903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).