(2-methyloxan-2-yl)-quinolin-3-ylmethanol

C16H19NO2 — CID 80684863

IUPAC(2-methyloxan-2-yl)-quinolin-3-ylmethanol
SMILESCC1(C(O)c2cnc3ccccc3c2)CCCCO1
InChIInChI=1S/C16H19NO2/c1-16(8-4-5-9-19-16)15(18)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3
InChIKeyRDOFAFDFMJNVRF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.23
Rot. Bonds2

About (2-methyloxan-2-yl)-quinolin-3-ylmethanol

(2-methyloxan-2-yl)-quinolin-3-ylmethanol (PubChem CID 80684863) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-quinolin-3-ylmethanol.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-quinolin-3-ylmethanol
PubChem CID80684863
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2-methyloxan-2-yl)-quinolin-3-ylmethanol
SMILESCC1(C(O)c2cnc3ccccc3c2)CCCCO1
InChIInChI=1S/C16H19NO2/c1-16(8-4-5-9-19-16)15(18)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3
InChIKeyRDOFAFDFMJNVRF-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
CID 103452070
(1-methoxycycloheptyl)-quinolin-3-ylmethanol
CID 116755913
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
[(1-methylcyclopentyl)-quinolin-3-ylmethyl]hydrazine
CID 105286886
fluoro(quinolin-3-yl)methanol
CID 163892772
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
(2-methyloxan-2-yl)-thiophen-3-ylmethanol
CID 80685803
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632
1-quinolin-3-ylbutan-1-ol
CID 60924193
(5-methylpyrazin-2-yl)-quinolin-3-ylmethanol
CID 105079360

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-quinolin-3-ylmethanol?
The IUPAC name of (2-methyloxan-2-yl)-quinolin-3-ylmethanol (CID 80684863) is (2-methyloxan-2-yl)-quinolin-3-ylmethanol.
What is the SMILES notation for (2-methyloxan-2-yl)-quinolin-3-ylmethanol?
The canonical SMILES for (2-methyloxan-2-yl)-quinolin-3-ylmethanol is CC1(C(O)c2cnc3ccccc3c2)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-quinolin-3-ylmethanol?
The InChIKey is RDOFAFDFMJNVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(8-4-5-9-19-16)15(18)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3.
What are the key properties of (2-methyloxan-2-yl)-quinolin-3-ylmethanol?
(2-methyloxan-2-yl)-quinolin-3-ylmethanol has a molecular weight of 257.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-quinolin-3-ylmethanol is sourced from PubChem (CID 80684863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).