6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol

C36H32N4O5 — CID 157049869

IUPAC6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol
SMILESCOCOc1ccc2nc(/C=C/c3ccnc(OC)c3)ccc2c1.COc1cc(/C=C/c2ccc3cc(O)ccc3n2)ccn1
InChIInChI=1S/C19H18N2O3.C17H14N2O2/c1-22-13-24-17-7-8-18-15(12-17)4-6-16(21-18)5-3-14-9-10-20-19(11-14)23-2;1-21-17-10-12(8-9-18-17)2-4-14-5-3-13-11-15(20)6-7-16(13)19-14/h3-12H,13H2,1-2H3;2-11,20H,1H3/b5-3+;4-2+
InChIKeyAABKVYQBWBOBFZ-CSLKWDFPSA-N
MW600.68 g/mol
LogP7.31
Rot. Bonds9

About 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol

6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol (PubChem CID 157049869) has the molecular formula C36H32N4O5 and a molecular weight of 600.68 g/mol. Its IUPAC name is 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol.

Molecular Properties

Compound Name6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol
PubChem CID157049869
Molecular FormulaC36H32N4O5
Molecular Weight600.68 g/mol
Exact Mass600.24
IUPAC Name6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol
SMILESCOCOc1ccc2nc(/C=C/c3ccnc(OC)c3)ccc2c1.COc1cc(/C=C/c2ccc3cc(O)ccc3n2)ccn1
InChIInChI=1S/C19H18N2O3.C17H14N2O2/c1-22-13-24-17-7-8-18-15(12-17)4-6-16(21-18)5-3-14-9-10-20-19(11-14)23-2;1-21-17-10-12(8-9-18-17)2-4-14-5-3-13-11-15(20)6-7-16(13)19-14/h3-12H,13H2,1-2H3;2-11,20H,1H3/b5-3+;4-2+
InChIKeyAABKVYQBWBOBFZ-CSLKWDFPSA-N
XLogP7.31
TPSA108.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol with MolForge

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Related Compounds

6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
CID 130185200
2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol
CID 137229847
6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
CID 130185255
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol
CID 10039389
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
5-[(1E,3E)-4-(6-methoxyquinolin-2-yl)buta-1,3-dienyl]pyridin-2-amine
CID 118336920
4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline
CID 6300604
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol?
The IUPAC name of 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol (CID 157049869) is 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol.
What is the SMILES notation for 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol?
The canonical SMILES for 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol is COCOc1ccc2nc(/C=C/c3ccnc(OC)c3)ccc2c1.COc1cc(/C=C/c2ccc3cc(O)ccc3n2)ccn1.
What is the InChIKey of 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol?
The InChIKey is AABKVYQBWBOBFZ-CSLKWDFPSA-N. The full InChI is InChI=1S/C19H18N2O3.C17H14N2O2/c1-22-13-24-17-7-8-18-15(12-17)4-6-16(21-18)5-3-14-9-10-20-19(11-14)23-2;1-21-17-10-12(8-9-18-17)2-4-14-5-3-13-11-15(20)6-7-16(13)19-14/h3-12H,13H2,1-2H3;2-11,20H,1H3/b5-3+;4-2+.
What are the key properties of 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol?
6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol has a molecular weight of 600.68 g/mol, XLogP of 7.31, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol is sourced from PubChem (CID 157049869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).