7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine

C17H15BrN2O2 — CID 50877861

IUPAC7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(OC)c(Nc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C17H15BrN2O2/c1-21-12-4-6-17(22-2)16(10-12)20-14-7-8-19-15-9-11(18)3-5-13(14)15/h3-10H,1-2H3,(H,19,20)
InChIKeyYQJROOTUYBPSDC-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.76
Rot. Bonds4

About 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine

7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine (PubChem CID 50877861) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine
PubChem CID50877861
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(OC)c(Nc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C17H15BrN2O2/c1-21-12-4-6-17(22-2)16(10-12)20-14-7-8-19-15-9-11(18)3-5-13(14)15/h3-10H,1-2H3,(H,19,20)
InChIKeyYQJROOTUYBPSDC-UHFFFAOYSA-N
XLogP4.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-(2,4-dimethoxyphenyl)quinolin-4-amine
CID 50877851
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine (CID 50877861) is 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine is COc1ccc(OC)c(Nc2ccnc3cc(Br)ccc23)c1.
What is the InChIKey of 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine?
The InChIKey is YQJROOTUYBPSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-21-12-4-6-17(22-2)16(10-12)20-14-7-8-19-15-9-11(18)3-5-13(14)15/h3-10H,1-2H3,(H,19,20).
What are the key properties of 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine?
7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine has a molecular weight of 359.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 50877861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).