2-(benzylamino)-4-methylquinolin-7-ol

C17H16N2O — CID 135857476

IUPAC2-(benzylamino)-4-methylquinolin-7-ol
SMILESCc1cc(NCc2ccccc2)nc2cc(O)ccc12
InChIInChI=1S/C17H16N2O/c1-12-9-17(18-11-13-5-3-2-4-6-13)19-16-10-14(20)7-8-15(12)16/h2-10,20H,11H2,1H3,(H,18,19)
InChIKeyCBGOKOUSNOEDBB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 2-(benzylamino)-4-methylquinolin-7-ol

2-(benzylamino)-4-methylquinolin-7-ol (PubChem CID 135857476) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(benzylamino)-4-methylquinolin-7-ol.

Molecular Properties

Compound Name2-(benzylamino)-4-methylquinolin-7-ol
PubChem CID135857476
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(benzylamino)-4-methylquinolin-7-ol
SMILESCc1cc(NCc2ccccc2)nc2cc(O)ccc12
InChIInChI=1S/C17H16N2O/c1-12-9-17(18-11-13-5-3-2-4-6-13)19-16-10-14(20)7-8-15(12)16/h2-10,20H,11H2,1H3,(H,18,19)
InChIKeyCBGOKOUSNOEDBB-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-methylquinolin-7-ol?
The IUPAC name of 2-(benzylamino)-4-methylquinolin-7-ol (CID 135857476) is 2-(benzylamino)-4-methylquinolin-7-ol.
What is the SMILES notation for 2-(benzylamino)-4-methylquinolin-7-ol?
The canonical SMILES for 2-(benzylamino)-4-methylquinolin-7-ol is Cc1cc(NCc2ccccc2)nc2cc(O)ccc12.
What is the InChIKey of 2-(benzylamino)-4-methylquinolin-7-ol?
The InChIKey is CBGOKOUSNOEDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-9-17(18-11-13-5-3-2-4-6-13)19-16-10-14(20)7-8-15(12)16/h2-10,20H,11H2,1H3,(H,18,19).
What are the key properties of 2-(benzylamino)-4-methylquinolin-7-ol?
2-(benzylamino)-4-methylquinolin-7-ol has a molecular weight of 264.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-methylquinolin-7-ol is sourced from PubChem (CID 135857476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).