2-[(quinolin-8-ylamino)methyl]phenol

C16H14N2O — CID 890662

IUPAC2-[(quinolin-8-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1cccc2cccnc12
InChIInChI=1S/C16H14N2O/c19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14/h1-10,18-19H,11H2
InChIKeyIBAMCOOJLVVYTB-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

About 2-[(quinolin-8-ylamino)methyl]phenol

2-[(quinolin-8-ylamino)methyl]phenol (PubChem CID 890662) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(quinolin-8-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(quinolin-8-ylamino)methyl]phenol
PubChem CID890662
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-[(quinolin-8-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1cccc2cccnc12
InChIInChI=1S/C16H14N2O/c19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14/h1-10,18-19H,11H2
InChIKeyIBAMCOOJLVVYTB-UHFFFAOYSA-N
XLogP3.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(quinolin-8-ylamino)methyl]phenol?
The IUPAC name of 2-[(quinolin-8-ylamino)methyl]phenol (CID 890662) is 2-[(quinolin-8-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(quinolin-8-ylamino)methyl]phenol?
The canonical SMILES for 2-[(quinolin-8-ylamino)methyl]phenol is Oc1ccccc1CNc1cccc2cccnc12.
What is the InChIKey of 2-[(quinolin-8-ylamino)methyl]phenol?
The InChIKey is IBAMCOOJLVVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14/h1-10,18-19H,11H2.
What are the key properties of 2-[(quinolin-8-ylamino)methyl]phenol?
2-[(quinolin-8-ylamino)methyl]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(quinolin-8-ylamino)methyl]phenol is sourced from PubChem (CID 890662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).