4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide

C24H29F2N5O4 — CID 142581475

About 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide

4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 142581475) has the molecular formula C24H29F2N5O4 and a molecular weight of 489.52 g/mol. Its IUPAC name is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
• PubChem CID: 142581475
• Molecular Formula: C24H29F2N5O4
• Molecular Weight: 489.52 g/mol
• Exact Mass: 489.22
• IUPAC Name: 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
• SMILES: CCNC(=O)N1CCN(C(=O)c2cnc3c(F)cc(F)cc3c2N2CCC3(CC2)OCCO3)CC1
• InChI: InChI=1S/C24H29F2N5O4/c1-2-27-23(33)31-9-7-30(8-10-31)22(32)18-15-28-20-17(13-16(25)14-19(20)26)21(18)29-5-3-24(4-6-29)34-11-12-35-24/h13-15H,2-12H2,1H3,(H,27,33)
• InChIKey: ZHAAURWQQNWHFN-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 87.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.52
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?

The IUPAC name of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide (CID 142581475) is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide.

What is the SMILES notation for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?

The canonical SMILES for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cnc3c(F)cc(F)cc3c2N2CCC3(CC2)OCCO3)CC1.

What is the InChIKey of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?

The InChIKey is ZHAAURWQQNWHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O4/c1-2-27-23(33)31-9-7-30(8-10-31)22(32)18-15-28-20-17(13-16(25)14-19(20)26)21(18)29-5-3-24(4-6-29)34-11-12-35-24/h13-15H,2-12H2,1H3,(H,27,33).

What are the key properties of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide?

4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 142581475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).