N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide

C22H16F2N2O — CID 60610166

IUPACN-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C22H16F2N2O/c23-16-10-14(11-17(24)13-16)7-9-26-22(27)20-12-15-4-1-2-5-18(15)19-6-3-8-25-21(19)20/h1-6,8,10-13H,7,9H2,(H,26,27)
InChIKeyFLJLQLLOORUIQI-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.64
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide

N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide (PubChem CID 60610166) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
PubChem CID60610166
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C22H16F2N2O/c23-16-10-14(11-17(24)13-16)7-9-26-22(27)20-12-15-4-1-2-5-18(15)19-6-3-8-25-21(19)20/h1-6,8,10-13H,7,9H2,(H,26,27)
InChIKeyFLJLQLLOORUIQI-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119477643
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide (CID 60610166) is N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide is O=C(NCCc1cc(F)cc(F)c1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is FLJLQLLOORUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c23-16-10-14(11-17(24)13-16)7-9-26-22(27)20-12-15-4-1-2-5-18(15)19-6-3-8-25-21(19)20/h1-6,8,10-13H,7,9H2,(H,26,27).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide?
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 60610166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).