3-[(2-methylquinolin-4-yl)amino]phenol

C16H14N2O — CID 942693

IUPAC3-[(2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C16H14N2O/c1-11-9-16(14-7-2-3-8-15(14)17-11)18-12-5-4-6-13(19)10-12/h2-10,19H,1H3,(H,17,18)
InChIKeyOLVAXNKVWYWHSD-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.99
Rot. Bonds2

About 3-[(2-methylquinolin-4-yl)amino]phenol

3-[(2-methylquinolin-4-yl)amino]phenol (PubChem CID 942693) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)amino]phenol
PubChem CID942693
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[(2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)c2ccccc2n1
InChIInChI=1S/C16H14N2O/c1-11-9-16(14-7-2-3-8-15(14)17-11)18-12-5-4-6-13(19)10-12/h2-10,19H,1H3,(H,17,18)
InChIKeyOLVAXNKVWYWHSD-UHFFFAOYSA-N
XLogP3.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)amino]phenol?
The IUPAC name of 3-[(2-methylquinolin-4-yl)amino]phenol (CID 942693) is 3-[(2-methylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)amino]phenol is Cc1cc(Nc2cccc(O)c2)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)amino]phenol?
The InChIKey is OLVAXNKVWYWHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-9-16(14-7-2-3-8-15(14)17-11)18-12-5-4-6-13(19)10-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of 3-[(2-methylquinolin-4-yl)amino]phenol?
3-[(2-methylquinolin-4-yl)amino]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 942693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).