[1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol

C23H22N2O — CID 166628020

IUPAC[1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
SMILESC=C(c1ccc2c(c1)cc(CO)n2CC)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H22N2O/c1-4-25-19(14-26)13-18-12-17(9-10-23(18)25)16(3)21-11-15(2)24-22-8-6-5-7-20(21)22/h5-13,26H,3-4,14H2,1-2H3
InChIKeyWKMBCJMLGALFJB-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.07
Rot. Bonds4

About [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol

[1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol (PubChem CID 166628020) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
PubChem CID166628020
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name[1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
SMILESC=C(c1ccc2c(c1)cc(CO)n2CC)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H22N2O/c1-4-25-19(14-26)13-18-12-17(9-10-23(18)25)16(3)21-11-15(2)24-22-8-6-5-7-20(21)22/h5-13,26H,3-4,14H2,1-2H3
InChIKeyWKMBCJMLGALFJB-UHFFFAOYSA-N
XLogP5.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
[1-(methoxymethyl)-1H-indol-2-yl](phenyl)methanol
CID 11842269
[3,6-dimethyl-6,11-dihydro-5H-indolizino[6,7-b]indole-1,2-diyl]dimethanol
CID 56945246
[6-Ethyl-3-methyl-6,11-dihydro-5H-indolizino[6,7-b]indole-1,2-diyl]dimethanol
CID 71574550
[9-Benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
CID 71574551
Topoisomerase I/II inhibitor BO-1978
CID 71575014
US10660877, Example 22
CID 134329793
(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanol
CID 145991252
1-[9-Methyl-6-[methyl-(2-methylquinolin-4-yl)amino]carbazol-3-yl]ethanol
CID 152213735
(2-Methylquinolin-6-yl)methanol
CID 2795481
2-(1-Methyl-2-phenyl-3-indolyl)ethanol
CID 784721
[1-[(3-Methylphenyl)methyl]indol-3-yl]methanol
CID 17604207

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
The IUPAC name of [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol (CID 166628020) is [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
The canonical SMILES for [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol is C=C(c1ccc2c(c1)cc(CO)n2CC)c1cc(C)nc2ccccc12.
What is the InChIKey of [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
The InChIKey is WKMBCJMLGALFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-4-25-19(14-26)13-18-12-17(9-10-23(18)25)16(3)21-11-15(2)24-22-8-6-5-7-20(21)22/h5-13,26H,3-4,14H2,1-2H3.
What are the key properties of [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
[1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol has a molecular weight of 342.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol is sourced from PubChem (CID 166628020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).