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

C17H16N4O2 — CID 135537580

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccc3ccccc3n2)c1O
InChIInChI=1S/C17H16N4O2/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)/b19-9+
InChIKeyMVVKIGZQNFCEEH-DJKKODMXSA-N
MW308.34 g/mol
LogP2.58
Rot. Bonds4

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

5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol (PubChem CID 135537580) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
PubChem CID135537580
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccc3ccccc3n2)c1O
InChIInChI=1S/C17H16N4O2/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)/b19-9+
InChIKeyMVVKIGZQNFCEEH-DJKKODMXSA-N
XLogP2.58
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.58
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

CID 135557876
CID 135557876
CID 135829856
CID 135829856
CID 135735428
CID 135735428
CID 145981693
CID 145981693
CID 135430705
CID 135430705
CID 135497330
CID 135497330
CID 135465900
CID 135465900
CID 135923489
CID 135923489
CID 136186021
CID 136186021
CID 136186035
CID 136186035
CID 145992495
CID 145992495
CID 145992508
CID 145992508

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol (CID 135537580) is 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ccc3ccccc3n2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The InChIKey is MVVKIGZQNFCEEH-DJKKODMXSA-N. The full InChI is InChI=1S/C17H16N4O2/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)/b19-9+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol has a molecular weight of 308.34 g/mol, XLogP of 2.58, 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-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol is sourced from PubChem (CID 135537580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).