[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C24H25N3O2 — CID 55758585

IUPAC[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(26-12-3-4-13-26)17-9-14-27(15-10-17)24(29)21-16-18-6-1-2-7-19(18)20-8-5-11-25-22(20)21/h1-2,5-8,11,16-17H,3-4,9-10,12-15H2
InChIKeyOZJDYGNBWFQIKH-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.86
Rot. Bonds2

About [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55758585) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55758585
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(26-12-3-4-13-26)17-9-14-27(15-10-17)24(29)21-16-18-6-1-2-7-19(18)20-8-5-11-25-22(20)21/h1-2,5-8,11,16-17H,3-4,9-10,12-15H2
InChIKeyOZJDYGNBWFQIKH-UHFFFAOYSA-N
XLogP3.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55758585) is [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2ccccc2c2cccnc12)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OZJDYGNBWFQIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(26-12-3-4-13-26)17-9-14-27(15-10-17)24(29)21-16-18-6-1-2-7-19(18)20-8-5-11-25-22(20)21/h1-2,5-8,11,16-17H,3-4,9-10,12-15H2.
What are the key properties of [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.48 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55758585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).