(4-methylquinolin-2-yl)-(oxan-3-yl)methanol

C16H19NO2 — CID 107136237

IUPAC(4-methylquinolin-2-yl)-(oxan-3-yl)methanol
SMILESCc1cc(C(O)C2CCCOC2)nc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-9-15(16(18)12-5-4-8-19-10-12)17-14-7-3-2-6-13(11)14/h2-3,6-7,9,12,16,18H,4-5,8,10H2,1H3
InChIKeyMFNAFQPWUIPEQV-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.00
Rot. Bonds2

About (4-methylquinolin-2-yl)-(oxan-3-yl)methanol

(4-methylquinolin-2-yl)-(oxan-3-yl)methanol (PubChem CID 107136237) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (4-methylquinolin-2-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(4-methylquinolin-2-yl)-(oxan-3-yl)methanol
PubChem CID107136237
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(4-methylquinolin-2-yl)-(oxan-3-yl)methanol
SMILESCc1cc(C(O)C2CCCOC2)nc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-9-15(16(18)12-5-4-8-19-10-12)17-14-7-3-2-6-13(11)14/h2-3,6-7,9,12,16,18H,4-5,8,10H2,1H3
InChIKeyMFNAFQPWUIPEQV-UHFFFAOYSA-N
XLogP3.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-Amino-1,2,3,4-tetrahydroacridin-4-ol
CID 179850
1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
2-Quinolinemethanol
CID 73196
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(dipropylamino)ethanol
CID 432292
Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
[6-Fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
CID 10338613
1-(4-Fluorophenyl)-2-quinolin-2-ylethanol
CID 44346580
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol
CID 91559335
Quinacainol
CID 55464
[3-(Hydroxymethyl)quinolin-2-yl]methanol
CID 11206266
(3-(2-Methylquinolin-7-yl)phenyl)methanol
CID 44432665

Frequently Asked Questions

What is the IUPAC name of (4-methylquinolin-2-yl)-(oxan-3-yl)methanol?
The IUPAC name of (4-methylquinolin-2-yl)-(oxan-3-yl)methanol (CID 107136237) is (4-methylquinolin-2-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (4-methylquinolin-2-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (4-methylquinolin-2-yl)-(oxan-3-yl)methanol is Cc1cc(C(O)C2CCCOC2)nc2ccccc12.
What is the InChIKey of (4-methylquinolin-2-yl)-(oxan-3-yl)methanol?
The InChIKey is MFNAFQPWUIPEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-9-15(16(18)12-5-4-8-19-10-12)17-14-7-3-2-6-13(11)14/h2-3,6-7,9,12,16,18H,4-5,8,10H2,1H3.
What are the key properties of (4-methylquinolin-2-yl)-(oxan-3-yl)methanol?
(4-methylquinolin-2-yl)-(oxan-3-yl)methanol has a molecular weight of 257.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylquinolin-2-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).