7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline

C23H20N2O3 — CID 162674614

IUPAC7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
SMILESCOc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O3/c1-26-21-12-18(13-22(27-2)23(21)28-3)19-10-17-5-4-16(11-20(17)25-14-19)15-6-8-24-9-7-15/h4-14H,1-3H3
InChIKeyZGGVZWZAZUBRKG-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.99
Rot. Bonds5

About 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline

7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline (PubChem CID 162674614) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline.

Molecular Properties

Compound Name7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
PubChem CID162674614
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
SMILESCOc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O3/c1-26-21-12-18(13-22(27-2)23(21)28-3)19-10-17-5-4-16(11-20(17)25-14-19)15-6-8-24-9-7-15/h4-14H,1-3H3
InChIKeyZGGVZWZAZUBRKG-UHFFFAOYSA-N
XLogP4.99
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethoxy-3-pyridin-4-ylquinoline;dihydrochloride
CID 45073427
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706
2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 13171497
3-pyridin-4-ylquinoline
CID 10081720
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
CID 56596003
3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline
CID 170294742
7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
CID 170295713
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
CID 39226750
3-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline
CID 10065445

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline?
The IUPAC name of 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline (CID 162674614) is 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline.
What is the SMILES notation for 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline?
The canonical SMILES for 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline is COc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC.
What is the InChIKey of 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline?
The InChIKey is ZGGVZWZAZUBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-26-21-12-18(13-22(27-2)23(21)28-3)19-10-17-5-4-16(11-20(17)25-14-19)15-6-8-24-9-7-15/h4-14H,1-3H3.
What are the key properties of 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline?
7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline has a molecular weight of 372.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline is sourced from PubChem (CID 162674614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).