N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide

C21H22N2O — CID 3639952

IUPACN-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)(C)C
InChIInChI=1S/C21H22N2O/c1-14-18(20(24)23-21(2,3)4)16-12-8-9-13-17(16)22-19(14)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,23,24)
InChIKeyRAKOLXJTINCWDJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.74
Rot. Bonds2

About N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide

N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 3639952) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID3639952
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)(C)C
InChIInChI=1S/C21H22N2O/c1-14-18(20(24)23-21(2,3)4)16-12-8-9-13-17(16)22-19(14)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,23,24)
InChIKeyRAKOLXJTINCWDJ-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide 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

3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2496587
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide (CID 3639952) is N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is RAKOLXJTINCWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-18(20(24)23-21(2,3)4)16-12-8-9-13-17(16)22-19(14)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,23,24).
What are the key properties of N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide?
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3639952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).