[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C27H33FN4O2 — CID 142581277

IUPAC[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C27H33FN4O2/c28-20-6-7-23-21(16-20)24(32-11-10-27(18-32)8-2-1-3-9-27)22(17-29-23)26(34)31-14-12-30(13-15-31)25(33)19-4-5-19/h6-7,16-17,19H,1-5,8-15,18H2
InChIKeyVWEOXSRZIMDWEE-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.23
Rot. Bonds3

About [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 142581277) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID142581277
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C27H33FN4O2/c28-20-6-7-23-21(16-20)24(32-11-10-27(18-32)8-2-1-3-9-27)22(17-29-23)26(34)31-14-12-30(13-15-31)25(33)19-4-5-19/h6-7,16-17,19H,1-5,8-15,18H2
InChIKeyVWEOXSRZIMDWEE-UHFFFAOYSA-N
XLogP4.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.23
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[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 142581277) is [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is O=C(c1cnc2ccc(F)cc2c1N1CCC2(CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is VWEOXSRZIMDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c28-20-6-7-23-21(16-20)24(32-11-10-27(18-32)8-2-1-3-9-27)22(17-29-23)26(34)31-14-12-30(13-15-31)25(33)19-4-5-19/h6-7,16-17,19H,1-5,8-15,18H2.
What are the key properties of [4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 464.59 g/mol, XLogP of 4.23, 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[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 142581277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).