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

C21H21N3O — CID 166635820

IUPAC[1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
SMILESCc1cc(N(C)c2ccc3c(c2)cc(CO)n3C)c2ccccc2n1
InChIInChI=1S/C21H21N3O/c1-14-10-21(18-6-4-5-7-19(18)22-14)23(2)16-8-9-20-15(11-16)12-17(13-25)24(20)3/h4-12,25H,13H2,1-3H3
InChIKeyFHPSQJZQVSUVEE-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.30
Rot. Bonds3

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

[1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol (PubChem CID 166635820) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
PubChem CID166635820
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
SMILESCc1cc(N(C)c2ccc3c(c2)cc(CO)n3C)c2ccccc2n1
InChIInChI=1S/C21H21N3O/c1-14-10-21(18-6-4-5-7-19(18)22-14)23(2)16-8-9-20-15(11-16)12-17(13-25)24(20)3/h4-12,25H,13H2,1-3H3
InChIKeyFHPSQJZQVSUVEE-UHFFFAOYSA-N
XLogP4.30
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
The IUPAC name of [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol (CID 166635820) is [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol.
What is the SMILES notation for [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
The canonical SMILES for [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol is Cc1cc(N(C)c2ccc3c(c2)cc(CO)n3C)c2ccccc2n1.
What is the InChIKey of [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
The InChIKey is FHPSQJZQVSUVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-10-21(18-6-4-5-7-19(18)22-14)23(2)16-8-9-20-15(11-16)12-17(13-25)24(20)3/h4-12,25H,13H2,1-3H3.
What are the key properties of [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
[1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol has a molecular weight of 331.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol is sourced from PubChem (CID 166635820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).