3-(quinolin-4-ylmethyl)oxan-4-ol

C15H17NO2 — CID 106471125

IUPAC3-(quinolin-4-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1Cc1ccnc2ccccc12
InChIInChI=1S/C15H17NO2/c17-15-6-8-18-10-12(15)9-11-5-7-16-14-4-2-1-3-13(11)14/h1-5,7,12,15,17H,6,8-10H2
InChIKeyCCGHUEWVNVQHQZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds2

About 3-(quinolin-4-ylmethyl)oxan-4-ol

3-(quinolin-4-ylmethyl)oxan-4-ol (PubChem CID 106471125) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(quinolin-4-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name3-(quinolin-4-ylmethyl)oxan-4-ol
PubChem CID106471125
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(quinolin-4-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1Cc1ccnc2ccccc12
InChIInChI=1S/C15H17NO2/c17-15-6-8-18-10-12(15)9-11-5-7-16-14-4-2-1-3-13(11)14/h1-5,7,12,15,17H,6,8-10H2
InChIKeyCCGHUEWVNVQHQZ-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
3-(quinolin-8-ylmethyl)oxan-4-ol
CID 106471188
3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
CID 106471082
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
CID 135089561
2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135106936

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylmethyl)oxan-4-ol?
The IUPAC name of 3-(quinolin-4-ylmethyl)oxan-4-ol (CID 106471125) is 3-(quinolin-4-ylmethyl)oxan-4-ol.
What is the SMILES notation for 3-(quinolin-4-ylmethyl)oxan-4-ol?
The canonical SMILES for 3-(quinolin-4-ylmethyl)oxan-4-ol is OC1CCOCC1Cc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylmethyl)oxan-4-ol?
The InChIKey is CCGHUEWVNVQHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15-6-8-18-10-12(15)9-11-5-7-16-14-4-2-1-3-13(11)14/h1-5,7,12,15,17H,6,8-10H2.
What are the key properties of 3-(quinolin-4-ylmethyl)oxan-4-ol?
3-(quinolin-4-ylmethyl)oxan-4-ol has a molecular weight of 243.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylmethyl)oxan-4-ol is sourced from PubChem (CID 106471125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).