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

C42H52N4O3 — CID 143219465

IUPACN-(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
SMILESCC.Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1C.Cc1ccc(C(=O)Nc2ccc3c(c2)NCCC3(C)C)cc1C
InChIInChI=1S/C20H22N2O2.C20H24N2O.C2H6/c1-12-5-6-14(9-13(12)2)19(24)21-15-7-8-16-17(10-15)22-18(23)11-20(16,3)4;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/h5-10H,11H2,1-4H3,(H,21,24)(H,22,23);5-8,11-12,21H,9-10H2,1-4H3,(H,22,23);1-2H3
InChIKeyXNUIITYPTQWPCM-UHFFFAOYSA-N
MW660.90 g/mol
LogP9.85
Rot. Bonds4

About 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

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 (PubChem CID 143219465) has the molecular formula C42H52N4O3 and a molecular weight of 660.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID143219465
Molecular FormulaC42H52N4O3
Molecular Weight660.90 g/mol
Exact Mass660.40
IUPAC NameN-(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
SMILESCC.Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1C.Cc1ccc(C(=O)Nc2ccc3c(c2)NCCC3(C)C)cc1C
InChIInChI=1S/C20H22N2O2.C20H24N2O.C2H6/c1-12-5-6-14(9-13(12)2)19(24)21-15-7-8-16-17(10-15)22-18(23)11-20(16,3)4;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/h5-10H,11H2,1-4H3,(H,21,24)(H,22,23);5-8,11-12,21H,9-10H2,1-4H3,(H,22,23);1-2H3
InChIKeyXNUIITYPTQWPCM-UHFFFAOYSA-N
XLogP9.85
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 59.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 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 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-(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
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-2,3-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)-2-pyridin-3-ylprop-2-enamide
CID 18952464
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
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1C.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;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane?
The InChIKey is XNUIITYPTQWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.C20H24N2O.C2H6/c1-12-5-6-14(9-13(12)2)19(24)21-15-7-8-16-17(10-15)22-18(23)11-20(16,3)4;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/h5-10H,11H2,1-4H3,(H,21,24)(H,22,23);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;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane?
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 has a molecular weight of 660.90 g/mol, XLogP of 9.85, 4 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;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane is sourced from PubChem (CID 143219465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).