4-methyl-2-[(quinolin-3-ylamino)methyl]phenol

C17H16N2O — CID 951116

IUPAC4-methyl-2-[(quinolin-3-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H16N2O/c1-12-6-7-17(20)14(8-12)10-18-15-9-13-4-2-3-5-16(13)19-11-15/h2-9,11,18,20H,10H2,1H3
InChIKeyVNOVTCNDESSNKC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol

4-methyl-2-[(quinolin-3-ylamino)methyl]phenol (PubChem CID 951116) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(quinolin-3-ylamino)methyl]phenol
PubChem CID951116
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-methyl-2-[(quinolin-3-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H16N2O/c1-12-6-7-17(20)14(8-12)10-18-15-9-13-4-2-3-5-16(13)19-11-15/h2-9,11,18,20H,10H2,1H3
InChIKeyVNOVTCNDESSNKC-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

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 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol (CID 951116) is 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol is Cc1ccc(O)c(CNc2cnc3ccccc3c2)c1.
What is the InChIKey of 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol?
The InChIKey is VNOVTCNDESSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-6-7-17(20)14(8-12)10-18-15-9-13-4-2-3-5-16(13)19-11-15/h2-9,11,18,20H,10H2,1H3.
What are the key properties of 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol?
4-methyl-2-[(quinolin-3-ylamino)methyl]phenol 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 4-methyl-2-[(quinolin-3-ylamino)methyl]phenol is sourced from PubChem (CID 951116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).