N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine

C20H22N2 — CID 145472266

IUPACN-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
SMILESC=C1CCc2ccc(NC(=C)c3ccc(C)c(C)c3)cc2N1
InChIInChI=1S/C20H22N2/c1-13-5-7-18(11-14(13)2)16(4)22-19-10-9-17-8-6-15(3)21-20(17)12-19/h5,7,9-12,21-22H,3-4,6,8H2,1-2H3
InChIKeyXWAOVMWMAHDEPO-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.26
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine

N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine (PubChem CID 145472266) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
PubChem CID145472266
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
SMILESC=C1CCc2ccc(NC(=C)c3ccc(C)c(C)c3)cc2N1
InChIInChI=1S/C20H22N2/c1-13-5-7-18(11-14(13)2)16(4)22-19-10-9-17-8-6-15(3)21-20(17)12-19/h5,7,9-12,21-22H,3-4,6,8H2,1-2H3
InChIKeyXWAOVMWMAHDEPO-UHFFFAOYSA-N
XLogP5.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
CID 145472073
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;7-[1-(3,4-dimethylphenyl)ethenylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one;ethane
CID 143210981
4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol
CID 89193854
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
CID 75361159
2-methylidene-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 126607254
2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline
CID 145472238
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
CID 1377912
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane
CID 143219465
N-but-1-en-2-yl-3,4-dimethylaniline
CID 142248146
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 43185137
propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine (CID 145472266) is N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine is C=C1CCc2ccc(NC(=C)c3ccc(C)c(C)c3)cc2N1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
The InChIKey is XWAOVMWMAHDEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-13-5-7-18(11-14(13)2)16(4)22-19-10-9-17-8-6-15(3)21-20(17)12-19/h5,7,9-12,21-22H,3-4,6,8H2,1-2H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine has a molecular weight of 290.41 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine is sourced from PubChem (CID 145472266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).