4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline

C21H24N2 — CID 138565009

IUPAC4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline
SMILESCCc1cc2nccc(Cc3ccc(NC)cc3)c2cc1CC
InChIInChI=1S/C21H24N2/c1-4-16-13-20-18(10-11-23-21(20)14-17(16)5-2)12-15-6-8-19(22-3)9-7-15/h6-11,13-14,22H,4-5,12H2,1-3H3
InChIKeyQWCJSTARJLSTKJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.99
Rot. Bonds5

About 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline

4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline (PubChem CID 138565009) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline
PubChem CID138565009
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline
SMILESCCc1cc2nccc(Cc3ccc(NC)cc3)c2cc1CC
InChIInChI=1S/C21H24N2/c1-4-16-13-20-18(10-11-23-21(20)14-17(16)5-2)12-15-6-8-19(22-3)9-7-15/h6-11,13-14,22H,4-5,12H2,1-3H3
InChIKeyQWCJSTARJLSTKJ-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6,7-dimethylquinolin-4-yl)methyl]aniline
CID 142137055
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-ethyl-6-(trifluoromethyl)quinoline
CID 123745234
4-(quinolin-4-ylmethyl)phenol
CID 83128983
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
CID 59813544
1-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]phenyl]-5-phenylpentan-1-one
CID 58065102
(3'R,5'S,6S,6'R)-4-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[8H-furo[3,4-g]quinoline-6,2'-thiane]-3',4',5'-triol
CID 143656056
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline (CID 138565009) is 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline is CCc1cc2nccc(Cc3ccc(NC)cc3)c2cc1CC.
What is the InChIKey of 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline?
The InChIKey is QWCJSTARJLSTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-16-13-20-18(10-11-23-21(20)14-17(16)5-2)12-15-6-8-19(22-3)9-7-15/h6-11,13-14,22H,4-5,12H2,1-3H3.
What are the key properties of 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline?
4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline has a molecular weight of 304.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline is sourced from PubChem (CID 138565009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).