[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C26H31FN4O2 — CID 142581394

IUPAC[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CC2(CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H31FN4O2/c27-19-6-7-22-20(14-19)23(31-16-26(17-31)8-2-1-3-9-26)21(15-28-22)25(33)30-12-10-29(11-13-30)24(32)18-4-5-18/h6-7,14-15,18H,1-5,8-13,16-17H2
InChIKeyMBJYXSTVYPCPKE-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.84
Rot. Bonds3

About [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 142581394) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID142581394
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CC2(CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H31FN4O2/c27-19-6-7-22-20(14-19)23(31-16-26(17-31)8-2-1-3-9-26)21(15-28-22)25(33)30-12-10-29(11-13-30)24(32)18-4-5-18/h6-7,14-15,18H,1-5,8-13,16-17H2
InChIKeyMBJYXSTVYPCPKE-UHFFFAOYSA-N
XLogP3.84
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 142581394) is [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(F)cc2c1N1CC2(CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is MBJYXSTVYPCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c27-19-6-7-22-20(14-19)23(31-16-26(17-31)8-2-1-3-9-26)21(15-28-22)25(33)30-12-10-29(11-13-30)24(32)18-4-5-18/h6-7,14-15,18H,1-5,8-13,16-17H2.
What are the key properties of [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 450.56 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 142581394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).