N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide

C24H31BrN2O — CID 72721214

IUPACN-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide
SMILESCc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CCCN2Cc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O/c1-16-13-21-20(17(2)23(16)26-22(28)14-24(3,4)5)7-6-12-27(21)15-18-8-10-19(25)11-9-18/h8-11,13H,6-7,12,14-15H2,1-5H3,(H,26,28)
InChIKeyCKWSKKKYKRMHMG-UHFFFAOYSA-N
MW443.43 g/mol
LogP6.39
Rot. Bonds4

About N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide

N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide (PubChem CID 72721214) has the molecular formula C24H31BrN2O and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide
PubChem CID72721214
Molecular FormulaC24H31BrN2O
Molecular Weight443.43 g/mol
Exact Mass442.16
IUPAC NameN-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide
SMILESCc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CCCN2Cc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O/c1-16-13-21-20(17(2)23(16)26-22(28)14-24(3,4)5)7-6-12-27(21)15-18-8-10-19(25)11-9-18/h8-11,13H,6-7,12,14-15H2,1-5H3,(H,26,28)
InChIKeyCKWSKKKYKRMHMG-UHFFFAOYSA-N
XLogP6.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide 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

CID 89204478
CID 89204478
N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
CID 25191104
N-[8-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-3,3-dimethylbutanamide
CID 168967031
2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 177096152
N-[5-(4-bromoanilino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]-3,3-dimethylbutanamide
CID 25000134
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
CID 58097339
CID 165042911
CID 165042911
N-[6-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
CID 11225166
N-[4-(2-chloro-5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 146862747
N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide
CID 46070651
N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide
CID 25191231
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide (CID 72721214) is N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide is Cc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CCCN2Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide?
The InChIKey is CKWSKKKYKRMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O/c1-16-13-21-20(17(2)23(16)26-22(28)14-24(3,4)5)7-6-12-27(21)15-18-8-10-19(25)11-9-18/h8-11,13H,6-7,12,14-15H2,1-5H3,(H,26,28).
What are the key properties of N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide?
N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide has a molecular weight of 443.43 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 72721214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).