1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol

C15H19NO3 — CID 81216505

IUPAC1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H19NO3/c1-10-5-6-11-9-12(7-8-13(11)16-10)15(2,17)14(18-3)19-4/h5-9,14,17H,1-4H3
InChIKeyXSLMGCBVHBNLIC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.37
Rot. Bonds4

About 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol

1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol (PubChem CID 81216505) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol
PubChem CID81216505
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H19NO3/c1-10-5-6-11-9-12(7-8-13(11)16-10)15(2,17)14(18-3)19-4/h5-9,14,17H,1-4H3
InChIKeyXSLMGCBVHBNLIC-UHFFFAOYSA-N
XLogP2.37
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol (CID 81216505) is 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol is COC(OC)C(C)(O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol?
The InChIKey is XSLMGCBVHBNLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-6-11-9-12(7-8-13(11)16-10)15(2,17)14(18-3)19-4/h5-9,14,17H,1-4H3.
What are the key properties of 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol?
1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol is sourced from PubChem (CID 81216505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).