N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide

C28H30N4O2 — CID 67247486

About N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide

N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide (PubChem CID 67247486) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
• PubChem CID: 67247486
• Molecular Formula: C28H30N4O2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
• SMILES: Cc1ccc2cccc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)c2n1
• InChI: InChI=1S/C28H30N4O2/c1-20-14-15-22-11-7-12-24(26(22)30-20)28(34)32(3)23(19-21-9-5-4-6-10-21)16-17-29-27(33)25-13-8-18-31(25)2/h4-15,18,23H,16-17,19H2,1-3H3,(H,29,33)
• InChIKey: VVJFNKUYFXGNDG-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide?

The IUPAC name of N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide (CID 67247486) is N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide.

What is the SMILES notation for N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide?

The canonical SMILES for N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide is Cc1ccc2cccc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)c2n1.

What is the InChIKey of N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide?

The InChIKey is VVJFNKUYFXGNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-20-14-15-22-11-7-12-24(26(22)30-20)28(34)32(3)23(19-21-9-5-4-6-10-21)16-17-29-27(33)25-13-8-18-31(25)2/h4-15,18,23H,16-17,19H2,1-3H3,(H,29,33).

What are the key properties of N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide?

N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide is sourced from PubChem (CID 67247486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).