cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

C25H29FN4O4 — CID 142581369

IUPACcyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H29FN4O4/c26-18-3-4-21-19(15-18)22(28-7-5-25(6-8-28)33-13-14-34-25)20(16-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2
InChIKeyDYPAUGDXNDQNJI-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.41
Rot. Bonds3

About cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581369) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581369
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H29FN4O4/c26-18-3-4-21-19(15-18)22(28-7-5-25(6-8-28)33-13-14-34-25)20(16-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2
InChIKeyDYPAUGDXNDQNJI-UHFFFAOYSA-N
XLogP2.41
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581369) is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is DYPAUGDXNDQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c26-18-3-4-21-19(15-18)22(28-7-5-25(6-8-28)33-13-14-34-25)20(16-27-21)24(32)30-11-9-29(10-12-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2.
What are the key properties of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 468.53 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).