[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate

C30H35N5O4 — CID 123298658

About [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate

[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate (PubChem CID 123298658) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate.

Molecular Properties

• Compound Name: [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate
• PubChem CID: 123298658
• Molecular Formula: C30H35N5O4
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.27
• IUPAC Name: [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate
• SMILES: NC(=O)C1(OC(=O)c2ccnc3ccccc23)CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
• InChI: InChI=1S/C30H35N5O4/c31-29(37)30(39-28(36)24-8-14-32-25-4-2-1-3-23(24)25)11-5-21(6-12-30)9-15-34-16-18-35(19-17-34)27-26-22(7-13-33-27)10-20-38-26/h1-4,7-8,13-14,21H,5-6,9-12,15-20H2,(H2,31,37)
• InChIKey: NZDDTRHDCDZAHM-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 110.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate?

The IUPAC name of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate (CID 123298658) is [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate.

What is the SMILES notation for [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate?

The canonical SMILES for [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate is NC(=O)C1(OC(=O)c2ccnc3ccccc23)CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1.

What is the InChIKey of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate?

The InChIKey is NZDDTRHDCDZAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4/c31-29(37)30(39-28(36)24-8-14-32-25-4-2-1-3-23(24)25)11-5-21(6-12-30)9-15-34-16-18-35(19-17-34)27-26-22(7-13-33-27)10-20-38-26/h1-4,7-8,13-14,21H,5-6,9-12,15-20H2,(H2,31,37).

What are the key properties of [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate?

[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate has a molecular weight of 529.64 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate is sourced from PubChem (CID 123298658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).