[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol

C15H16ClNO2 — CID 112618787

IUPAC[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
SMILESOCC1CCCOC1c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H16ClNO2/c16-13-6-5-12(14-11(13)4-1-7-17-14)15-10(9-18)3-2-8-19-15/h1,4-7,10,15,18H,2-3,8-9H2
InChIKeyQQDYVNIUZQHDEJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.35
Rot. Bonds2

About [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol

[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol (PubChem CID 112618787) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
PubChem CID112618787
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
SMILESOCC1CCCOC1c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H16ClNO2/c16-13-6-5-12(14-11(13)4-1-7-17-14)15-10(9-18)3-2-8-19-15/h1,4-7,10,15,18H,2-3,8-9H2
InChIKeyQQDYVNIUZQHDEJ-UHFFFAOYSA-N
XLogP3.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
CID 79370953
2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine
CID 115960467
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol
CID 114489409
2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
CID 115960452
[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
CID 106359109
2-quinolin-8-yloxane-3-carboxylic acid
CID 79368125
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
5-chloro-8-[[5-(4-chlorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 43075295
5-chloro-7-[[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]quinolin-8-ol
CID 6957537

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol?
The IUPAC name of [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol (CID 112618787) is [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol.
What is the SMILES notation for [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol?
The canonical SMILES for [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol is OCC1CCCOC1c1ccc(Cl)c2cccnc12.
What is the InChIKey of [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol?
The InChIKey is QQDYVNIUZQHDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-6-5-12(14-11(13)4-1-7-17-14)15-10(9-18)3-2-8-19-15/h1,4-7,10,15,18H,2-3,8-9H2.
What are the key properties of [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol?
[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol has a molecular weight of 277.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol is sourced from PubChem (CID 112618787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).