5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride

C17H17ClN4O2 — CID 171151082

IUPAC5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(C=NNc2ccc3ccccc3n2)c1O.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-11-17(23)14(13(10-22)8-18-11)9-19-21-16-7-6-12-4-2-3-5-15(12)20-16;/h2-9,22-23H,10H2,1H3,(H,20,21);1H
InChIKeyUIIKWAGWRZOGBV-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.00
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride

5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride (PubChem CID 171151082) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
PubChem CID171151082
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(C=NNc2ccc3ccccc3n2)c1O.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-11-17(23)14(13(10-22)8-18-11)9-19-21-16-7-6-12-4-2-3-5-15(12)20-16;/h2-9,22-23H,10H2,1H3,(H,20,21);1H
InChIKeyUIIKWAGWRZOGBV-UHFFFAOYSA-N
XLogP3.00
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
CID 135537580
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1-phenylmethanesulfonamide;hydrochloride
CID 163327920
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
2-fluoro-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 772263
2-bromo-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 3257549
5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol
CID 135828831
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135775170
5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]pyridin-3-ol
CID 135828935
3-hydroxy-N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 135852735
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
CID 6059144
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 163327922

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride (CID 171151082) is 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride is Cc1ncc(CO)c(C=NNc2ccc3ccccc3n2)c1O.Cl.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride?
The InChIKey is UIIKWAGWRZOGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.ClH/c1-11-17(23)14(13(10-22)8-18-11)9-19-21-16-7-6-12-4-2-3-5-15(12)20-16;/h2-9,22-23H,10H2,1H3,(H,20,21);1H.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride?
5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride is sourced from PubChem (CID 171151082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).