(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol

C17H21NO3 — CID 116753998

IUPAC(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
SMILESCOC1(C(O)c2ccc3nc(C)ccc3c2)CCOCC1
InChIInChI=1S/C17H21NO3/c1-12-3-4-13-11-14(5-6-15(13)18-12)16(19)17(20-2)7-9-21-10-8-17/h3-6,11,16,19H,7-10H2,1-2H3
InChIKeyRHOOHUMBKNDVQM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.77
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol

(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol (PubChem CID 116753998) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
PubChem CID116753998
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
SMILESCOC1(C(O)c2ccc3nc(C)ccc3c2)CCOCC1
InChIInChI=1S/C17H21NO3/c1-12-3-4-13-11-14(5-6-15(13)18-12)16(19)17(20-2)7-9-21-10-8-17/h3-6,11,16,19H,7-10H2,1-2H3
InChIKeyRHOOHUMBKNDVQM-UHFFFAOYSA-N
XLogP2.77
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylcyclopentyl)-(2-methylquinolin-6-yl)methanol
CID 115826661
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
CID 107288648
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
CID 116753823
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanol
CID 105118439
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
(1-methoxycycloheptyl)-quinolin-3-ylmethanol
CID 116755913
2-methylquinolin-6-ol
CID 594395

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol?
The IUPAC name of (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol (CID 116753998) is (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol?
The canonical SMILES for (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol is COC1(C(O)c2ccc3nc(C)ccc3c2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol?
The InChIKey is RHOOHUMBKNDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-3-4-13-11-14(5-6-15(13)18-12)16(19)17(20-2)7-9-21-10-8-17/h3-6,11,16,19H,7-10H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol?
(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol has a molecular weight of 287.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol is sourced from PubChem (CID 116753998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).