3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol

C16H14N2O2 — CID 61317236

IUPAC3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
SMILESOc1cccc(CNc2cccc3ncccc23)c1O
InChIInChI=1S/C16H14N2O2/c19-15-8-1-4-11(16(15)20)10-18-14-7-2-6-13-12(14)5-3-9-17-13/h1-9,18-20H,10H2
InChIKeyVKIDMJTVLJRYAE-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.26
Rot. Bonds3

About 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol

3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol (PubChem CID 61317236) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
PubChem CID61317236
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
SMILESOc1cccc(CNc2cccc3ncccc23)c1O
InChIInChI=1S/C16H14N2O2/c19-15-8-1-4-11(16(15)20)10-18-14-7-2-6-13-12(14)5-3-9-17-13/h1-9,18-20H,10H2
InChIKeyVKIDMJTVLJRYAE-UHFFFAOYSA-N
XLogP3.26
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[[(2-chloro-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 61319295
2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
CID 107740450
N-(1H-indol-3-ylmethyl)quinolin-5-amine
CID 60680044
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684
N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
4-[(naphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953912
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560

Frequently Asked Questions

What is the IUPAC name of 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol (CID 61317236) is 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol is Oc1cccc(CNc2cccc3ncccc23)c1O.
What is the InChIKey of 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol?
The InChIKey is VKIDMJTVLJRYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-8-1-4-11(16(15)20)10-18-14-7-2-6-13-12(14)5-3-9-17-13/h1-9,18-20H,10H2.
What are the key properties of 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol?
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol has a molecular weight of 266.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol is sourced from PubChem (CID 61317236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).