5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol

C17H16N2O3 — CID 142849594

IUPAC5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
SMILESCOc1cc(-c2ccc(O)c3ncccc23)cc(N)c1OC
InChIInChI=1S/C17H16N2O3/c1-21-15-9-10(8-13(18)17(15)22-2)11-5-6-14(20)16-12(11)4-3-7-19-16/h3-9,20H,18H2,1-2H3
InChIKeyIPSVXCGZMMHESP-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.21
Rot. Bonds3

About 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol

5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol (PubChem CID 142849594) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
PubChem CID142849594
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
SMILESCOc1cc(-c2ccc(O)c3ncccc23)cc(N)c1OC
InChIInChI=1S/C17H16N2O3/c1-21-15-9-10(8-13(18)17(15)22-2)11-5-6-14(20)16-12(11)4-3-7-19-16/h3-9,20H,18H2,1-2H3
InChIKeyIPSVXCGZMMHESP-UHFFFAOYSA-N
XLogP3.21
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde
CID 39225240
bis(5-phenylquinolin-8-ol);zinc
CID 59818569
5-[4-(aminomethyl)phenyl]quinolin-8-ol
CID 39222299
5-(3-amino-1,2-oxazol-5-yl)quinolin-8-ol
CID 136968536
5-[3-(2-aminoethyl)phenyl]quinolin-8-ol
CID 39225223
5-methylquinolin-8-ol;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 69226902
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
5-methoxy-1,7-phenanthroline
CID 67576947

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol?
The IUPAC name of 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol (CID 142849594) is 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol.
What is the SMILES notation for 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol?
The canonical SMILES for 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol is COc1cc(-c2ccc(O)c3ncccc23)cc(N)c1OC.
What is the InChIKey of 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol?
The InChIKey is IPSVXCGZMMHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15-9-10(8-13(18)17(15)22-2)11-5-6-14(20)16-12(11)4-3-7-19-16/h3-9,20H,18H2,1-2H3.
What are the key properties of 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol?
5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol has a molecular weight of 296.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol is sourced from PubChem (CID 142849594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).