4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline

C22H20N2O — CID 155542880

IUPAC4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline
SMILESC=C(c1cc(C)nc2ccccc12)c1cn(C)c2cc(OC)ccc12
InChIInChI=1S/C22H20N2O/c1-14-11-19(17-7-5-6-8-21(17)23-14)15(2)20-13-24(3)22-12-16(25-4)9-10-18(20)22/h5-13H,2H2,1,3-4H3
InChIKeyZMWRVCWTTHWMOS-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.11
Rot. Bonds3

About 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline

4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline (PubChem CID 155542880) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline.

Molecular Properties

Compound Name4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline
PubChem CID155542880
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline
SMILESC=C(c1cc(C)nc2ccccc12)c1cn(C)c2cc(OC)ccc12
InChIInChI=1S/C22H20N2O/c1-14-11-19(17-7-5-6-8-21(17)23-14)15(2)20-13-24(3)22-12-16(25-4)9-10-18(20)22/h5-13H,2H2,1,3-4H3
InChIKeyZMWRVCWTTHWMOS-UHFFFAOYSA-N
XLogP5.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Harmine
CID 5280953
Harmine Hydrochloride
CID 5359389
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
N-Methyl-5-benzyloxyindole
CID 259196
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
1-(4-methoxyphenyl)-1H-indole
CID 775715
7-Benzyloxyquinoline
CID 3035604

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline?
The IUPAC name of 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline (CID 155542880) is 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline.
What is the SMILES notation for 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline?
The canonical SMILES for 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline is C=C(c1cc(C)nc2ccccc12)c1cn(C)c2cc(OC)ccc12.
What is the InChIKey of 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline?
The InChIKey is ZMWRVCWTTHWMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-11-19(17-7-5-6-8-21(17)23-14)15(2)20-13-24(3)22-12-16(25-4)9-10-18(20)22/h5-13H,2H2,1,3-4H3.
What are the key properties of 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline?
4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline has a molecular weight of 328.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-1-methylindol-3-yl)ethenyl]-2-methylquinoline is sourced from PubChem (CID 155542880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).