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

C43H54N4O2 — CID 143210981

IUPACN-(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
SMILESC=C(Nc1ccc2c(c1)NC(=O)CC2(C)C)c1ccc(C)c(C)c1.CC.Cc1ccc(C(=O)Nc2ccc3c(c2)NCCC3(C)C)cc1C
InChIInChI=1S/C21H24N2O.C20H24N2O.C2H6/c1-13-6-7-16(10-14(13)2)15(3)22-17-8-9-18-19(11-17)23-20(24)12-21(18,4)5;1-13-5-6-15(11-14(13)2)19(23)22-16-7-8-17-18(12-16)21-10-9-20(17,3)4;1-2/h6-11,22H,3,12H2,1-2,4-5H3,(H,23,24);5-8,11-12,21H,9-10H2,1-4H3,(H,22,23);1-2H3
InChIKeyJZAOASPSLLLLNE-UHFFFAOYSA-N
MW658.93 g/mol
LogP10.68
Rot. Bonds5

About 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

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 (PubChem CID 143210981) has the molecular formula C43H54N4O2 and a molecular weight of 658.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID143210981
Molecular FormulaC43H54N4O2
Molecular Weight658.93 g/mol
Exact Mass658.42
IUPAC NameN-(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
SMILESC=C(Nc1ccc2c(c1)NC(=O)CC2(C)C)c1ccc(C)c(C)c1.CC.Cc1ccc(C(=O)Nc2ccc3c(c2)NCCC3(C)C)cc1C
InChIInChI=1S/C21H24N2O.C20H24N2O.C2H6/c1-13-6-7-16(10-14(13)2)15(3)22-17-8-9-18-19(11-17)23-20(24)12-21(18,4)5;1-13-5-6-15(11-14(13)2)19(23)22-16-7-8-17-18(12-16)21-10-9-20(17,3)4;1-2/h6-11,22H,3,12H2,1-2,4-5H3,(H,23,24);5-8,11-12,21H,9-10H2,1-4H3,(H,22,23);1-2H3
InChIKeyJZAOASPSLLLLNE-UHFFFAOYSA-N
XLogP10.68
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.93
LogP ≤ 510.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
CID 75361159
4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952439
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
CID 18952446
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-pyridin-3-ylprop-2-enamide
CID 18952464
N-[1-(3,4-dimethylphenyl)ethenyl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
CID 145472266
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44525563
4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952417
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-pyridin-4-ylprop-2-enamide
CID 67823812
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
CID 18952407
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-6-hydroxyhexanamide
CID 18952427
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(Nc1ccc2c(c1)NC(=O)CC2(C)C)c1ccc(C)c(C)c1.CC.Cc1ccc(C(=O)Nc2ccc3c(c2)NCCC3(C)C)cc1C.
What is the InChIKey of 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?
The InChIKey is JZAOASPSLLLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.C20H24N2O.C2H6/c1-13-6-7-16(10-14(13)2)15(3)22-17-8-9-18-19(11-17)23-20(24)12-21(18,4)5;1-13-5-6-15(11-14(13)2)19(23)22-16-7-8-17-18(12-16)21-10-9-20(17,3)4;1-2/h6-11,22H,3,12H2,1-2,4-5H3,(H,23,24);5-8,11-12,21H,9-10H2,1-4H3,(H,22,23);1-2H3.
What are the key properties of 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?
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 has a molecular weight of 658.93 g/mol, XLogP of 10.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143210981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).