2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol

C15H19NO — CID 177184332

IUPAC2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
SMILESCc1cnc2ccc(CCC(C)(C)O)cc2c1
InChIInChI=1S/C15H19NO/c1-11-8-13-9-12(6-7-15(2,3)17)4-5-14(13)16-10-11/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyIUAVIPBROLYBPO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol

2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol (PubChem CID 177184332) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
PubChem CID177184332
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
SMILESCc1cnc2ccc(CCC(C)(C)O)cc2c1
InChIInChI=1S/C15H19NO/c1-11-8-13-9-12(6-7-15(2,3)17)4-5-14(13)16-10-11/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyIUAVIPBROLYBPO-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol (CID 177184332) is 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol is Cc1cnc2ccc(CCC(C)(C)O)cc2c1.
What is the InChIKey of 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol?
The InChIKey is IUAVIPBROLYBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-8-13-9-12(6-7-15(2,3)17)4-5-14(13)16-10-11/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol?
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol is sourced from PubChem (CID 177184332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).