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

C21H18N2O — CID 155512292

IUPAC[5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol
SMILESC=C(c1ccc2c(ccn2CO)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H18N2O/c1-14-11-19(18-5-3-4-6-20(18)22-14)15(2)16-7-8-21-17(12-16)9-10-23(21)13-24/h3-12,24H,2,13H2,1H3
InChIKeyVGAAWUYTCYDLAR-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.51
Rot. Bonds3

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

[5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol (PubChem CID 155512292) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol.

Molecular Properties

Compound Name[5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol
PubChem CID155512292
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name[5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol
SMILESC=C(c1ccc2c(ccn2CO)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H18N2O/c1-14-11-19(18-5-3-4-6-20(18)22-14)15(2)16-7-8-21-17(12-16)9-10-23(21)13-24/h3-12,24H,2,13H2,1H3
InChIKeyVGAAWUYTCYDLAR-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol?
The IUPAC name of [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol (CID 155512292) is [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol.
What is the SMILES notation for [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol?
The canonical SMILES for [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol is C=C(c1ccc2c(ccn2CO)c1)c1cc(C)nc2ccccc12.
What is the InChIKey of [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol?
The InChIKey is VGAAWUYTCYDLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-11-19(18-5-3-4-6-20(18)22-14)15(2)16-7-8-21-17(12-16)9-10-23(21)13-24/h3-12,24H,2,13H2,1H3.
What are the key properties of [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol?
[5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol has a molecular weight of 314.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-methylquinolin-4-yl)ethenyl]indol-1-yl]methanol is sourced from PubChem (CID 155512292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).