5-[(3-methoxyanilino)methyl]quinolin-8-ol

C17H16N2O2 — CID 1090311

IUPAC5-[(3-methoxyanilino)methyl]quinolin-8-ol
SMILESCOc1cccc(NCc2ccc(O)c3ncccc23)c1
InChIInChI=1S/C17H16N2O2/c1-21-14-5-2-4-13(10-14)19-11-12-7-8-16(20)17-15(12)6-3-9-18-17/h2-10,19-20H,11H2,1H3
InChIKeyNDKRMYWVOKLVQL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About 5-[(3-methoxyanilino)methyl]quinolin-8-ol

5-[(3-methoxyanilino)methyl]quinolin-8-ol (PubChem CID 1090311) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(3-methoxyanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(3-methoxyanilino)methyl]quinolin-8-ol
PubChem CID1090311
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[(3-methoxyanilino)methyl]quinolin-8-ol
SMILESCOc1cccc(NCc2ccc(O)c3ncccc23)c1
InChIInChI=1S/C17H16N2O2/c1-21-14-5-2-4-13(10-14)19-11-12-7-8-16(20)17-15(12)6-3-9-18-17/h2-10,19-20H,11H2,1H3
InChIKeyNDKRMYWVOKLVQL-UHFFFAOYSA-N
XLogP3.56
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyanilino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(3-methoxyanilino)methyl]quinolin-8-ol (CID 1090311) is 5-[(3-methoxyanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(3-methoxyanilino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(3-methoxyanilino)methyl]quinolin-8-ol is COc1cccc(NCc2ccc(O)c3ncccc23)c1.
What is the InChIKey of 5-[(3-methoxyanilino)methyl]quinolin-8-ol?
The InChIKey is NDKRMYWVOKLVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-14-5-2-4-13(10-14)19-11-12-7-8-16(20)17-15(12)6-3-9-18-17/h2-10,19-20H,11H2,1H3.
What are the key properties of 5-[(3-methoxyanilino)methyl]quinolin-8-ol?
5-[(3-methoxyanilino)methyl]quinolin-8-ol has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 1090311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).