3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol

C13H14N4O2 — CID 170826793

IUPAC3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
SMILESCc1ccc2cc(C(O)C(O)CN=[N+]=[N-])ccc2n1
InChIInChI=1S/C13H14N4O2/c1-8-2-3-9-6-10(4-5-11(9)16-8)13(19)12(18)7-15-17-14/h2-6,12-13,18-19H,7H2,1H3
InChIKeyVFYOLVTUDFHYNV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.25
Rot. Bonds4

About 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol

3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol (PubChem CID 170826793) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
PubChem CID170826793
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
SMILESCc1ccc2cc(C(O)C(O)CN=[N+]=[N-])ccc2n1
InChIInChI=1S/C13H14N4O2/c1-8-2-3-9-6-10(4-5-11(9)16-8)13(19)12(18)7-15-17-14/h2-6,12-13,18-19H,7H2,1H3
InChIKeyVFYOLVTUDFHYNV-UHFFFAOYSA-N
XLogP2.25
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170826176
3-azido-1-(1H-indazol-6-yl)propane-1,2-diol
CID 170826184
6-(azidomethyl)-2-methylquinoline
CID 58081368
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol (CID 170826793) is 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol is Cc1ccc2cc(C(O)C(O)CN=[N+]=[N-])ccc2n1.
What is the InChIKey of 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol?
The InChIKey is VFYOLVTUDFHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-2-3-9-6-10(4-5-11(9)16-8)13(19)12(18)7-15-17-14/h2-6,12-13,18-19H,7H2,1H3.
What are the key properties of 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol?
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol has a molecular weight of 258.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol is sourced from PubChem (CID 170826793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).