3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol

C12H11ClN4O2 — CID 170826792

IUPAC3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C12H11ClN4O2/c13-12-8(11(19)10(18)6-15-17-14)5-7-3-1-2-4-9(7)16-12/h1-5,10-11,18-19H,6H2
InChIKeyJSGCJJHGZOLVOQ-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.59
Rot. Bonds4

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

3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol (PubChem CID 170826792) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol
PubChem CID170826792
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C12H11ClN4O2/c13-12-8(11(19)10(18)6-15-17-14)5-7-3-1-2-4-9(7)16-12/h1-5,10-11,18-19H,6H2
InChIKeyJSGCJJHGZOLVOQ-UHFFFAOYSA-N
XLogP2.59
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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

1-(2-chloroquinolin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820647
3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838
3-azido-1-(2-chloro-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170826393
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
1-(2-chloroquinolin-3-yl)but-3-en-1-ol
CID 102324582
3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
3-azido-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170826749
3-azido-1-(2-bromo-3-pyridinyl)propane-1,2-diol
CID 170827081
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol (CID 170826792) is 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1cc2ccccc2nc1Cl.
What is the InChIKey of 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol?
The InChIKey is JSGCJJHGZOLVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-12-8(11(19)10(18)6-15-17-14)5-7-3-1-2-4-9(7)16-12/h1-5,10-11,18-19H,6H2.
What are the key properties of 3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol?
3-azido-1-(2-chloroquinolin-3-yl)propane-1,2-diol has a molecular weight of 278.70 g/mol, XLogP of 2.59, 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-chloroquinolin-3-yl)propane-1,2-diol is sourced from PubChem (CID 170826792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).