2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline

C21H18N2O — CID 155523080

IUPAC2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(OC)nc2ccccc12
InChIInChI=1S/C21H18N2O/c1-14(15-8-9-20-16(12-15)10-11-23(20)2)18-13-21(24-3)22-19-7-5-4-6-17(18)19/h4-13H,1H2,2-3H3
InChIKeyHHBXRPVLONXZBB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.80
Rot. Bonds3

About 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline

2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline (PubChem CID 155523080) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline.

Molecular Properties

Compound Name2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
PubChem CID155523080
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(OC)nc2ccccc12
InChIInChI=1S/C21H18N2O/c1-14(15-8-9-20-16(12-15)10-11-23(20)2)18-13-21(24-3)22-19-7-5-4-6-17(18)19/h4-13H,1H2,2-3H3
InChIKeyHHBXRPVLONXZBB-UHFFFAOYSA-N
XLogP4.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
The IUPAC name of 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline (CID 155523080) is 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline.
What is the SMILES notation for 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
The canonical SMILES for 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline is C=C(c1ccc2c(ccn2C)c1)c1cc(OC)nc2ccccc12.
What is the InChIKey of 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
The InChIKey is HHBXRPVLONXZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14(15-8-9-20-16(12-15)10-11-23(20)2)18-13-21(24-3)22-19-7-5-4-6-17(18)19/h4-13H,1H2,2-3H3.
What are the key properties of 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline has a molecular weight of 314.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline is sourced from PubChem (CID 155523080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).