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

C16H21NO — CID 79235619

IUPAC3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H21NO/c1-4-11(2)9-16(18)14-10-12(3)17-15-8-6-5-7-13(14)15/h5-8,10-11,16,18H,4,9H2,1-3H3
InChIKeyLBTHBWXSZDDAPH-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds4

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

3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol (PubChem CID 79235619) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
PubChem CID79235619
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H21NO/c1-4-11(2)9-16(18)14-10-12(3)17-15-8-6-5-7-13(14)15/h5-8,10-11,16,18H,4,9H2,1-3H3
InChIKeyLBTHBWXSZDDAPH-UHFFFAOYSA-N
XLogP4.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820
3-cyclopropyl-1-(2-methylquinolin-4-yl)propan-1-ol
CID 105105790
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79235146
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
The IUPAC name of 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol (CID 79235619) is 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol is CCC(C)CC(O)c1cc(C)nc2ccccc12.
What is the InChIKey of 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
The InChIKey is LBTHBWXSZDDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-11(2)9-16(18)14-10-12(3)17-15-8-6-5-7-13(14)15/h5-8,10-11,16,18H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol?
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 4.01, 4 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)pentan-1-ol is sourced from PubChem (CID 79235619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).