2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide

C16H20N2O — CID 82575406

IUPAC2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide
SMILESCc1cc(CC(N)=O)c2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C16H20N2O/c1-10-7-11(8-15(17)19)13-9-12(16(2,3)4)5-6-14(13)18-10/h5-7,9H,8H2,1-4H3,(H2,17,19)
InChIKeyVEKGERTVSOGEGQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.87
Rot. Bonds2

About 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide

2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide (PubChem CID 82575406) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide
PubChem CID82575406
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide
SMILESCc1cc(CC(N)=O)c2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C16H20N2O/c1-10-7-11(8-15(17)19)13-9-12(16(2,3)4)5-6-14(13)18-10/h5-7,9H,8H2,1-4H3,(H2,17,19)
InChIKeyVEKGERTVSOGEGQ-UHFFFAOYSA-N
XLogP2.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide 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

2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide
CID 82575405
2-(2,4-ditert-butylphenyl)acetamide
CID 134462410
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone
CID 175328569
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid
CID 170984795
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide?
The IUPAC name of 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide (CID 82575406) is 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide is Cc1cc(CC(N)=O)c2cc(C(C)(C)C)ccc2n1.
What is the InChIKey of 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide?
The InChIKey is VEKGERTVSOGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-7-11(8-15(17)19)13-9-12(16(2,3)4)5-6-14(13)18-10/h5-7,9H,8H2,1-4H3,(H2,17,19).
What are the key properties of 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide?
2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide is sourced from PubChem (CID 82575406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).