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

C22H20N2O — CID 166630233

IUPAC[1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
SMILESC=C(c1ccc2c(c1)cc(CO)n2C)c1cc(C)nc2ccccc12
InChIInChI=1S/C22H20N2O/c1-14-10-20(19-6-4-5-7-21(19)23-14)15(2)16-8-9-22-17(11-16)12-18(13-25)24(22)3/h4-12,25H,2,13H2,1,3H3
InChIKeyFVKBOTPHAVLCBA-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.59
Rot. Bonds3

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

[1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol (PubChem CID 166630233) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
PubChem CID166630233
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name[1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
SMILESC=C(c1ccc2c(c1)cc(CO)n2C)c1cc(C)nc2ccccc12
InChIInChI=1S/C22H20N2O/c1-14-10-20(19-6-4-5-7-21(19)23-14)15(2)16-8-9-22-17(11-16)12-18(13-25)24(22)3/h4-12,25H,2,13H2,1,3H3
InChIKeyFVKBOTPHAVLCBA-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
The IUPAC name of [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol (CID 166630233) is [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol.
What is the SMILES notation for [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
The canonical SMILES for [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol is C=C(c1ccc2c(c1)cc(CO)n2C)c1cc(C)nc2ccccc12.
What is the InChIKey of [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
The InChIKey is FVKBOTPHAVLCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-10-20(19-6-4-5-7-21(19)23-14)15(2)16-8-9-22-17(11-16)12-18(13-25)24(22)3/h4-12,25H,2,13H2,1,3H3.
What are the key properties of [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol?
[1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol is sourced from PubChem (CID 166630233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).