3-(3,4-dimethoxyphenyl)quinolin-2-amine

C17H16N2O2 — CID 1480774

IUPAC3-(3,4-dimethoxyphenyl)quinolin-2-amine
SMILESCOc1ccc(-c2cc3ccccc3nc2N)cc1OC
InChIInChI=1S/C17H16N2O2/c1-20-15-8-7-11(10-16(15)21-2)13-9-12-5-3-4-6-14(12)19-17(13)18/h3-10H,1-2H3,(H2,18,19)
InChIKeyUIBMFNCZKLYSBR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.50
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)quinolin-2-amine

3-(3,4-dimethoxyphenyl)quinolin-2-amine (PubChem CID 1480774) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)quinolin-2-amine
PubChem CID1480774
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(3,4-dimethoxyphenyl)quinolin-2-amine
SMILESCOc1ccc(-c2cc3ccccc3nc2N)cc1OC
InChIInChI=1S/C17H16N2O2/c1-20-15-8-7-11(10-16(15)21-2)13-9-12-5-3-4-6-14(12)19-17(13)18/h3-10H,1-2H3,(H2,18,19)
InChIKeyUIBMFNCZKLYSBR-UHFFFAOYSA-N
XLogP3.50
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)quinolin-2-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)quinolin-2-amine (CID 1480774) is 3-(3,4-dimethoxyphenyl)quinolin-2-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)quinolin-2-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)quinolin-2-amine is COc1ccc(-c2cc3ccccc3nc2N)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)quinolin-2-amine?
The InChIKey is UIBMFNCZKLYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-8-7-11(10-16(15)21-2)13-9-12-5-3-4-6-14(12)19-17(13)18/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)quinolin-2-amine?
3-(3,4-dimethoxyphenyl)quinolin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)quinolin-2-amine is sourced from PubChem (CID 1480774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).