7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine

C16H21BrN2 — CID 107628611

IUPAC7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(C)c(Br)ccc12
InChIInChI=1S/C16H21BrN2/c1-6-18-13-9-14(16(3,4)5)19-15-10(2)12(17)8-7-11(13)15/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyWCJGYCRQHVIQGN-UHFFFAOYSA-N
MW321.26 g/mol
LogP5.04
Rot. Bonds2

About 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine

7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine (PubChem CID 107628611) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine.

Molecular Properties

Compound Name7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
PubChem CID107628611
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(C)c(Br)ccc12
InChIInChI=1S/C16H21BrN2/c1-6-18-13-9-14(16(3,4)5)19-15-10(2)12(17)8-7-11(13)15/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyWCJGYCRQHVIQGN-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
CID 107629079
5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
6,8-dibromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 55196158
5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
CID 63479847
8-bromo-2-tert-butyl-N-ethyl-5-fluoroquinolin-4-amine
CID 107628952
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55197100
[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 107629093
6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 63481640
8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
CID 63480755
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
CID 63480120
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
The IUPAC name of 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine (CID 107628611) is 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine.
What is the SMILES notation for 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
The canonical SMILES for 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2c(C)c(Br)ccc12.
What is the InChIKey of 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
The InChIKey is WCJGYCRQHVIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-6-18-13-9-14(16(3,4)5)19-15-10(2)12(17)8-7-11(13)15/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine has a molecular weight of 321.26 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine is sourced from PubChem (CID 107628611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).