3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol

C15H19NO — CID 63205399

IUPAC3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
SMILESCc1cc(CC(O)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H19NO/c1-10(2)15(17)9-12-8-11(3)16-14-7-5-4-6-13(12)14/h4-8,10,15,17H,9H2,1-3H3
InChIKeyVPYXGCGZXUSCIK-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.10
Rot. Bonds3

About 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol

3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol (PubChem CID 63205399) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
PubChem CID63205399
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
SMILESCc1cc(CC(O)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H19NO/c1-10(2)15(17)9-12-8-11(3)16-14-7-5-4-6-13(12)14/h4-8,10,15,17H,9H2,1-3H3
InChIKeyVPYXGCGZXUSCIK-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
4-(2-chloro-3,3-dimethylbutyl)-2-methylquinoline
CID 63530701
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
4-(2-bromobutyl)-2-methylquinoline
CID 63203840
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
(2-methylquinolin-4-yl)methanethiol
CID 79885955
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
1-(2-methylquinolin-4-yl)hexan-3-ol
CID 79424356
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol (CID 63205399) is 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol is Cc1cc(CC(O)C(C)C)c2ccccc2n1.
What is the InChIKey of 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol?
The InChIKey is VPYXGCGZXUSCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)15(17)9-12-8-11(3)16-14-7-5-4-6-13(12)14/h4-8,10,15,17H,9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol?
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol is sourced from PubChem (CID 63205399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).