[4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C25H29FN4O2 — CID 142581198

IUPAC[4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)CC2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H29FN4O2/c26-18-3-4-21-19(15-18)22(28-9-7-25(5-6-25)8-10-28)20(16-27-21)24(32)30-13-11-29(12-14-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2
InChIKeyZASQGHBAOUULCL-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.45
Rot. Bonds3

About [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 142581198) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID142581198
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name[4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)CC2)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H29FN4O2/c26-18-3-4-21-19(15-18)22(28-9-7-25(5-6-25)8-10-28)20(16-27-21)24(32)30-13-11-29(12-14-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2
InChIKeyZASQGHBAOUULCL-UHFFFAOYSA-N
XLogP3.45
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 142581198) is [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)CC2)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is ZASQGHBAOUULCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c26-18-3-4-21-19(15-18)22(28-9-7-25(5-6-25)8-10-28)20(16-27-21)24(32)30-13-11-29(12-14-30)23(31)17-1-2-17/h3-4,15-17H,1-2,5-14H2.
What are the key properties of [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 436.53 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 142581198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).