4-benzo[f]quinolin-3-yl-N,N-diethylaniline

C23H22N2 — CID 5063761

IUPAC4-benzo[f]quinolin-3-yl-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C23H22N2/c1-3-25(4-2)19-12-9-18(10-13-19)22-16-14-21-20-8-6-5-7-17(20)11-15-23(21)24-22/h5-16H,3-4H2,1-2H3
InChIKeyBWSNDJURMHFJBI-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.90
Rot. Bonds4

About 4-benzo[f]quinolin-3-yl-N,N-diethylaniline

4-benzo[f]quinolin-3-yl-N,N-diethylaniline (PubChem CID 5063761) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-benzo[f]quinolin-3-yl-N,N-diethylaniline.

Molecular Properties

Compound Name4-benzo[f]quinolin-3-yl-N,N-diethylaniline
PubChem CID5063761
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name4-benzo[f]quinolin-3-yl-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C23H22N2/c1-3-25(4-2)19-12-9-18(10-13-19)22-16-14-21-20-8-6-5-7-17(20)11-15-23(21)24-22/h5-16H,3-4H2,1-2H3
InChIKeyBWSNDJURMHFJBI-UHFFFAOYSA-N
XLogP5.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
CID 56971548
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
CID 170404497
1-N,3-N,5-N-tris(4-benzo[f]quinolin-3-ylphenyl)benzene-1,3,5-tricarboxamide
CID 126638754
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
CID 122666731
N,N-diethyl-4-(3-methylbenzo[e]benzimidazol-2-yl)aniline
CID 14011838
4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
CID 175630107
N,N-diethylaniline
CID 7061
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
N,N-bis(4-benzo[f][1,7]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404499
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
CID 71339197

Frequently Asked Questions

What is the IUPAC name of 4-benzo[f]quinolin-3-yl-N,N-diethylaniline?
The IUPAC name of 4-benzo[f]quinolin-3-yl-N,N-diethylaniline (CID 5063761) is 4-benzo[f]quinolin-3-yl-N,N-diethylaniline.
What is the SMILES notation for 4-benzo[f]quinolin-3-yl-N,N-diethylaniline?
The canonical SMILES for 4-benzo[f]quinolin-3-yl-N,N-diethylaniline is CCN(CC)c1ccc(-c2ccc3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 4-benzo[f]quinolin-3-yl-N,N-diethylaniline?
The InChIKey is BWSNDJURMHFJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-3-25(4-2)19-12-9-18(10-13-19)22-16-14-21-20-8-6-5-7-17(20)11-15-23(21)24-22/h5-16H,3-4H2,1-2H3.
What are the key properties of 4-benzo[f]quinolin-3-yl-N,N-diethylaniline?
4-benzo[f]quinolin-3-yl-N,N-diethylaniline has a molecular weight of 326.44 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[f]quinolin-3-yl-N,N-diethylaniline is sourced from PubChem (CID 5063761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).