3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine

C14H17BrN2O — CID 129318045

IUPAC3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine
SMILESCOc1ccc2cc(Br)c(NC(C)(C)C)nc2c1
InChIInChI=1S/C14H17BrN2O/c1-14(2,3)17-13-11(15)7-9-5-6-10(18-4)8-12(9)16-13/h5-8H,1-4H3,(H,16,17)
InChIKeyLTBSGCKSDLLQNZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.22
Rot. Bonds2

About 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine

3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine (PubChem CID 129318045) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine
PubChem CID129318045
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine
SMILESCOc1ccc2cc(Br)c(NC(C)(C)C)nc2c1
InChIInChI=1S/C14H17BrN2O/c1-14(2,3)17-13-11(15)7-9-5-6-10(18-4)8-12(9)16-13/h5-8H,1-4H3,(H,16,17)
InChIKeyLTBSGCKSDLLQNZ-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-methoxyquinolin-2-amine
CID 126637777
7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
CID 62193406
3-bromo-7-methoxyquinoline
CID 18788548
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
7-methoxy-3-(methoxymethyl)-N-propylquinolin-2-amine
CID 62194206
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
CID 104708310
7-methoxy-2,3-dimethylquinoline
CID 58717059
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
7-methoxy-2-(propylamino)quinoline-3-carboxylic acid
CID 10400374
3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 66800577
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine?
The IUPAC name of 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine (CID 129318045) is 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine.
What is the SMILES notation for 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine?
The canonical SMILES for 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine is COc1ccc2cc(Br)c(NC(C)(C)C)nc2c1.
What is the InChIKey of 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine?
The InChIKey is LTBSGCKSDLLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-14(2,3)17-13-11(15)7-9-5-6-10(18-4)8-12(9)16-13/h5-8H,1-4H3,(H,16,17).
What are the key properties of 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine?
3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-7-methoxyquinolin-2-amine is sourced from PubChem (CID 129318045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).