4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline

C22H20N2 — CID 155529337

IUPAC4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline
SMILESC=C(c1ccc2c(ccn2CC)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C22H20N2/c1-4-24-12-11-18-14-17(9-10-22(18)24)16(3)20-13-15(2)23-21-8-6-5-7-19(20)21/h5-14H,3-4H2,1-2H3
InChIKeyJWJXVVYEYOQKFQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.58
Rot. Bonds3

About 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline

4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline (PubChem CID 155529337) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline.

Molecular Properties

Compound Name4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline
PubChem CID155529337
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline
SMILESC=C(c1ccc2c(ccn2CC)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C22H20N2/c1-4-24-12-11-18-14-17(9-10-22(18)24)16(3)20-13-15(2)23-21-8-6-5-7-19(20)21/h5-14H,3-4H2,1-2H3
InChIKeyJWJXVVYEYOQKFQ-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline?
The IUPAC name of 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline (CID 155529337) is 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline.
What is the SMILES notation for 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline?
The canonical SMILES for 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline is C=C(c1ccc2c(ccn2CC)c1)c1cc(C)nc2ccccc12.
What is the InChIKey of 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline?
The InChIKey is JWJXVVYEYOQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-4-24-12-11-18-14-17(9-10-22(18)24)16(3)20-13-15(2)23-21-8-6-5-7-19(20)21/h5-14H,3-4H2,1-2H3.
What are the key properties of 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline?
4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline has a molecular weight of 312.42 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylindol-5-yl)ethenyl]-2-methylquinoline is sourced from PubChem (CID 155529337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).