[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol

C16H19NO — CID 116997484

IUPAC[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol
SMILESCc1cnc2ccc(CC3(CO)CCC3)cc2c1
InChIInChI=1S/C16H19NO/c1-12-7-14-8-13(3-4-15(14)17-10-12)9-16(11-18)5-2-6-16/h3-4,7-8,10,18H,2,5-6,9,11H2,1H3
InChIKeyGPGFBAUJFZWPJC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.25
Rot. Bonds3

About [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol

[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol (PubChem CID 116997484) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol
PubChem CID116997484
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol
SMILESCc1cnc2ccc(CC3(CO)CCC3)cc2c1
InChIInChI=1S/C16H19NO/c1-12-7-14-8-13(3-4-15(14)17-10-12)9-16(11-18)5-2-6-16/h3-4,7-8,10,18H,2,5-6,9,11H2,1H3
InChIKeyGPGFBAUJFZWPJC-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
1-[(3-methylquinolin-6-yl)methyl]cyclobutane-1-carbonitrile
CID 116997480
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
[1-[(3,5-dimethylphenyl)methyl]cyclopentyl]methanol
CID 66024135
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
CID 158164435
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol (CID 116997484) is [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol is Cc1cnc2ccc(CC3(CO)CCC3)cc2c1.
What is the InChIKey of [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol?
The InChIKey is GPGFBAUJFZWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-7-14-8-13(3-4-15(14)17-10-12)9-16(11-18)5-2-6-16/h3-4,7-8,10,18H,2,5-6,9,11H2,1H3.
What are the key properties of [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol?
[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol has a molecular weight of 241.33 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 [1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116997484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).