methane;4,6,7-trimethoxyquinoline

C13H17NO3 — CID 157066291

IUPACmethane;4,6,7-trimethoxyquinoline
SMILESC.COc1cc2nccc(OC)c2cc1OC
InChIInChI=1S/C12H13NO3.CH4/c1-14-10-4-5-13-9-7-12(16-3)11(15-2)6-8(9)10;/h4-7H,1-3H3;1H4
InChIKeyABXIOOULYSIGIB-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.90
Rot. Bonds3

About methane;4,6,7-trimethoxyquinoline

methane;4,6,7-trimethoxyquinoline (PubChem CID 157066291) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methane;4,6,7-trimethoxyquinoline.

Molecular Properties

Compound Namemethane;4,6,7-trimethoxyquinoline
PubChem CID157066291
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethane;4,6,7-trimethoxyquinoline
SMILESC.COc1cc2nccc(OC)c2cc1OC
InChIInChI=1S/C12H13NO3.CH4/c1-14-10-4-5-13-9-7-12(16-3)11(15-2)6-8(9)10;/h4-7H,1-3H3;1H4
InChIKeyABXIOOULYSIGIB-UHFFFAOYSA-N
XLogP2.90
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
4,6-dimethoxy-7-pentan-3-yloxyquinoline
CID 155219752
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
CID 139337026
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587

Frequently Asked Questions

What is the IUPAC name of methane;4,6,7-trimethoxyquinoline?
The IUPAC name of methane;4,6,7-trimethoxyquinoline (CID 157066291) is methane;4,6,7-trimethoxyquinoline.
What is the SMILES notation for methane;4,6,7-trimethoxyquinoline?
The canonical SMILES for methane;4,6,7-trimethoxyquinoline is C.COc1cc2nccc(OC)c2cc1OC.
What is the InChIKey of methane;4,6,7-trimethoxyquinoline?
The InChIKey is ABXIOOULYSIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.CH4/c1-14-10-4-5-13-9-7-12(16-3)11(15-2)6-8(9)10;/h4-7H,1-3H3;1H4.
What are the key properties of methane;4,6,7-trimethoxyquinoline?
methane;4,6,7-trimethoxyquinoline has a molecular weight of 235.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4,6,7-trimethoxyquinoline is sourced from PubChem (CID 157066291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).