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

C25H28F2N4O4 — CID 142581275

IUPACcyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2c(F)cc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H28F2N4O4/c26-17-13-18-21(20(27)14-17)28-15-19(22(18)29-5-3-25(4-6-29)34-11-12-35-25)24(33)31-9-7-30(8-10-31)23(32)16-1-2-16/h13-16H,1-12H2
InChIKeyWAVFWLVVUQDRJS-UHFFFAOYSA-N
MW486.52 g/mol
LogP2.55
Rot. Bonds3

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

cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581275) has the molecular formula C25H28F2N4O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581275
Molecular FormulaC25H28F2N4O4
Molecular Weight486.52 g/mol
Exact Mass486.21
IUPAC Namecyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2c(F)cc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H28F2N4O4/c26-17-13-18-21(20(27)14-17)28-15-19(22(18)29-5-3-25(4-6-29)34-11-12-35-25)24(33)31-9-7-30(8-10-31)23(32)16-1-2-16/h13-16H,1-12H2
InChIKeyWAVFWLVVUQDRJS-UHFFFAOYSA-N
XLogP2.55
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 52.55
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)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581275) is cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-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)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc2c(F)cc(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)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is WAVFWLVVUQDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O4/c26-17-13-18-21(20(27)14-17)28-15-19(22(18)29-5-3-25(4-6-29)34-11-12-35-25)24(33)31-9-7-30(8-10-31)23(32)16-1-2-16/h13-16H,1-12H2.
What are the key properties of cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 486.52 g/mol, XLogP of 2.55, 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)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).