2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline

C28H23N5O — CID 59117221

IUPAC2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline
SMILESCn1cc(Cc2cccc(-c3ncn[nH]3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21
InChIInChI=1S/C28H23N5O/c1-33-16-22(14-19-5-4-7-21(13-19)28-29-18-30-32-28)25-12-11-24(15-27(25)33)34-17-23-10-9-20-6-2-3-8-26(20)31-23/h2-13,15-16,18H,14,17H2,1H3,(H,29,30,32)
InChIKeyMEIRAESVIWTYJV-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.68
Rot. Bonds6

About 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline

2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline (PubChem CID 59117221) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline
PubChem CID59117221
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline
SMILESCn1cc(Cc2cccc(-c3ncn[nH]3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21
InChIInChI=1S/C28H23N5O/c1-33-16-22(14-19-5-4-7-21(13-19)28-29-18-30-32-28)25-12-11-24(15-27(25)33)34-17-23-10-9-20-6-2-3-8-26(20)31-23/h2-13,15-16,18H,14,17H2,1H3,(H,29,30,32)
InChIKeyMEIRAESVIWTYJV-UHFFFAOYSA-N
XLogP5.68
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amg-208
CID 24864821
Pyrazole, 16
CID 11567059
Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10a
CID 24864822
4-((6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
CID 24864823
Triazolopyridazine, 10c
CID 24864824
Triazolopyridazine, 10d
CID 24864825
Triazolopyridazine, 10e
CID 24864993
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406577
(S)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy)quinoline
CID 25064510
(R)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy)quinoline
CID 25065131
N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222969

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline (CID 59117221) is 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline is Cn1cc(Cc2cccc(-c3ncn[nH]3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21.
What is the InChIKey of 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
The InChIKey is MEIRAESVIWTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-33-16-22(14-19-5-4-7-21(13-19)28-29-18-30-32-28)25-12-11-24(15-27(25)33)34-17-23-10-9-20-6-2-3-8-26(20)31-23/h2-13,15-16,18H,14,17H2,1H3,(H,29,30,32).
What are the key properties of 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline?
2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline has a molecular weight of 445.53 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline is sourced from PubChem (CID 59117221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).