7-bromo-N-(3-methoxyphenyl)quinolin-4-amine

C16H13BrN2O — CID 50877855

IUPAC7-bromo-N-(3-methoxyphenyl)quinolin-4-amine
SMILESCOc1cccc(Nc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C16H13BrN2O/c1-20-13-4-2-3-12(10-13)19-15-7-8-18-16-9-11(17)5-6-14(15)16/h2-10H,1H3,(H,18,19)
InChIKeyASLYITGVHIWNOT-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.75
Rot. Bonds3

About 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine

7-bromo-N-(3-methoxyphenyl)quinolin-4-amine (PubChem CID 50877855) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(3-methoxyphenyl)quinolin-4-amine
PubChem CID50877855
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name7-bromo-N-(3-methoxyphenyl)quinolin-4-amine
SMILESCOc1cccc(Nc2ccnc3cc(Br)ccc23)c1
InChIInChI=1S/C16H13BrN2O/c1-20-13-4-2-3-12(10-13)19-15-7-8-18-16-9-11(17)5-6-14(15)16/h2-10H,1H3,(H,18,19)
InChIKeyASLYITGVHIWNOT-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine?
The IUPAC name of 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine (CID 50877855) is 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine is COc1cccc(Nc2ccnc3cc(Br)ccc23)c1.
What is the InChIKey of 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine?
The InChIKey is ASLYITGVHIWNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-20-13-4-2-3-12(10-13)19-15-7-8-18-16-9-11(17)5-6-14(15)16/h2-10H,1H3,(H,18,19).
What are the key properties of 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine?
7-bromo-N-(3-methoxyphenyl)quinolin-4-amine has a molecular weight of 329.20 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 50877855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).