2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide

C16H20N2O — CID 82575405

IUPAC2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide
SMILESCc1cc(CC(N)=O)c2cccc(C(C)(C)C)c2n1
InChIInChI=1S/C16H20N2O/c1-10-8-11(9-14(17)19)12-6-5-7-13(15(12)18-10)16(2,3)4/h5-8H,9H2,1-4H3,(H2,17,19)
InChIKeyXYHSLQQFZJPTCD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.87
Rot. Bonds2

About 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide

2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide (PubChem CID 82575405) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide
PubChem CID82575405
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide
SMILESCc1cc(CC(N)=O)c2cccc(C(C)(C)C)c2n1
InChIInChI=1S/C16H20N2O/c1-10-8-11(9-14(17)19)12-6-5-7-13(15(12)18-10)16(2,3)4/h5-8H,9H2,1-4H3,(H2,17,19)
InChIKeyXYHSLQQFZJPTCD-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

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Related Compounds

2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
2-(7,8-dichloro-2-methylquinolin-4-yl)acetamide
CID 82575421
8-tert-butyl-4-methylquinoline-2-carboxamide
CID 82574016
2-(6-tert-butyl-2-methylquinolin-4-yl)acetamide
CID 82575406
ethyl (E)-3-(8-tert-butyl-2-methylquinolin-4-yl)prop-2-enoate
CID 82580029
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
2-(2,4-ditert-butylphenyl)acetamide
CID 134462410
3-(4-methoxy-2-methylquinolin-8-yl)propanamide
CID 82578489
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
CID 122185970

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide?
The IUPAC name of 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide (CID 82575405) is 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide?
The canonical SMILES for 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide is Cc1cc(CC(N)=O)c2cccc(C(C)(C)C)c2n1.
What is the InChIKey of 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide?
The InChIKey is XYHSLQQFZJPTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-8-11(9-14(17)19)12-6-5-7-13(15(12)18-10)16(2,3)4/h5-8H,9H2,1-4H3,(H2,17,19).
What are the key properties of 2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide?
2-(8-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-(8-tert-butyl-2-methylquinolin-4-yl)acetamide is sourced from PubChem (CID 82575405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).