N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide

C20H22N2O2 — CID 75361159

IUPACN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1C
InChIInChI=1S/C20H22N2O2/c1-12-5-6-14(9-13(12)2)19(24)21-15-7-8-17-16(10-15)20(3,4)11-18(23)22-17/h5-10H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyZZERYEPBEFALJL-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.18
Rot. Bonds2

About N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide (PubChem CID 75361159) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
PubChem CID75361159
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1C
InChIInChI=1S/C20H22N2O2/c1-12-5-6-14(9-13(12)2)19(24)21-15-7-8-17-16(10-15)20(3,4)11-18(23)22-17/h5-10H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyZZERYEPBEFALJL-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide (CID 75361159) is N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1C.
What is the InChIKey of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide?
The InChIKey is ZZERYEPBEFALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-5-6-14(9-13(12)2)19(24)21-15-7-8-17-16(10-15)20(3,4)11-18(23)22-17/h5-10H,11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide?
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 75361159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).