3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

C32H36N6O3 — CID 123750176

About 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (PubChem CID 123750176) has the molecular formula C32H36N6O3 and a molecular weight of 552.68 g/mol. Its IUPAC name is 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
• PubChem CID: 123750176
• Molecular Formula: C32H36N6O3
• Molecular Weight: 552.68 g/mol
• Exact Mass: 552.28
• IUPAC Name: 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
• SMILES: CCC1=C(C(=O)Nc2ccc(C(=O)N3CCCC3)nc2)c2cc(-c3cncc(CN4CCOCC4)c3)ccc2NC1
• InChI: InChI=1S/C32H36N6O3/c1-2-23-19-34-28-7-5-24(25-15-22(17-33-18-25)21-37-11-13-41-14-12-37)16-27(28)30(23)31(39)36-26-6-8-29(35-20-26)32(40)38-9-3-4-10-38/h5-8,15-18,20,34H,2-4,9-14,19,21H2,1H3,(H,36,39)
• InChIKey: ZJTUIDCZDOKPFP-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.68
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

The IUPAC name of 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (CID 123750176) is 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.

What is the SMILES notation for 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

The canonical SMILES for 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is CCC1=C(C(=O)Nc2ccc(C(=O)N3CCCC3)nc2)c2cc(-c3cncc(CN4CCOCC4)c3)ccc2NC1.

What is the InChIKey of 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

The InChIKey is ZJTUIDCZDOKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O3/c1-2-23-19-34-28-7-5-24(25-15-22(17-33-18-25)21-37-11-13-41-14-12-37)16-27(28)30(23)31(39)36-26-6-8-29(35-20-26)32(40)38-9-3-4-10-38/h5-8,15-18,20,34H,2-4,9-14,19,21H2,1H3,(H,36,39).

What are the key properties of 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?

3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 552.68 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 123750176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).