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

C21H18N2 — CID 155537014

IUPAC2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H18N2/c1-14-12-19(18-6-4-5-7-20(18)22-14)15(2)16-8-9-21-17(13-16)10-11-23(21)3/h4-13H,2H2,1,3H3
InChIKeyFAOPDTWZORDBSE-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.10
Rot. Bonds2

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

2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline (PubChem CID 155537014) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
PubChem CID155537014
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H18N2/c1-14-12-19(18-6-4-5-7-20(18)22-14)15(2)16-8-9-21-17(13-16)10-11-23(21)3/h4-13H,2H2,1,3H3
InChIKeyFAOPDTWZORDBSE-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrvinium
CID 5281035
6-Methylquinoline
CID 7059
Latrepirdine
CID 197033
Ellipticine
CID 3213
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
Rimcazole
CID 53389
Festuclavine
CID 332915
Mebhydrolin
CID 22530
Pirlindole
CID 68802
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
The IUPAC name of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline (CID 155537014) is 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline.
What is the SMILES notation for 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
The canonical SMILES for 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline is C=C(c1ccc2c(ccn2C)c1)c1cc(C)nc2ccccc12.
What is the InChIKey of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
The InChIKey is FAOPDTWZORDBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-14-12-19(18-6-4-5-7-20(18)22-14)15(2)16-8-9-21-17(13-16)10-11-23(21)3/h4-13H,2H2,1,3H3.
What are the key properties of 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline?
2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline has a molecular weight of 298.39 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinoline is sourced from PubChem (CID 155537014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).