2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline

C29H24N6 — CID 70342259

IUPAC2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1cccc(Cn2ccc3cccc(CCc4nn[nH]n4)c32)c1
InChIInChI=1S/C29H24N6/c1-2-10-27-23(7-1)12-15-26(30-27)14-11-21-5-3-6-22(19-21)20-35-18-17-25-9-4-8-24(29(25)35)13-16-28-31-33-34-32-28/h1-12,14-15,17-19H,13,16,20H2,(H,31,32,33,34)/b14-11+
InChIKeyUKXUWWYRXWWUNS-SDNWHVSQSA-N
MW456.55 g/mol
LogP5.71
Rot. Bonds7

About 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline

2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline (PubChem CID 70342259) has the molecular formula C29H24N6 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline
PubChem CID70342259
Molecular FormulaC29H24N6
Molecular Weight456.55 g/mol
Exact Mass456.21
IUPAC Name2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1cccc(Cn2ccc3cccc(CCc4nn[nH]n4)c32)c1
InChIInChI=1S/C29H24N6/c1-2-10-27-23(7-1)12-15-26(30-27)14-11-21-5-3-6-22(19-21)20-35-18-17-25-9-4-8-24(29(25)35)13-16-28-31-33-34-32-28/h1-12,14-15,17-19H,13,16,20H2,(H,31,32,33,34)/b14-11+
InChIKeyUKXUWWYRXWWUNS-SDNWHVSQSA-N
XLogP5.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]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

7-chloro-2-[(E)-2-[4-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline
CID 142630366
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
4-[[3-(2-quinolin-2-ylethenyl)phenoxy]methyl]-2-(2H-tetrazol-5-yl)-1,3-benzoxazole
CID 67922330
2-[[4-[(E)-2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 15157915
2-[[3-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808909
7-bromo-2-[(E)-2-[2-[3-(2H-tetrazol-5-yl)propoxy]phenyl]ethenyl]quinoline
CID 70504652
2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
CID 19102588
1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
CID 54073060
5-(3-naphthalen-2-ylpropyl)-2H-tetrazole
CID 90064654
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
2-[(E)-2-(1H-indol-5-yl)ethenyl]quinoline
CID 142044528

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline (CID 70342259) is 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline is C(=C/c1ccc2ccccc2n1)\c1cccc(Cn2ccc3cccc(CCc4nn[nH]n4)c32)c1.
What is the InChIKey of 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The InChIKey is UKXUWWYRXWWUNS-SDNWHVSQSA-N. The full InChI is InChI=1S/C29H24N6/c1-2-10-27-23(7-1)12-15-26(30-27)14-11-21-5-3-6-22(19-21)20-35-18-17-25-9-4-8-24(29(25)35)13-16-28-31-33-34-32-28/h1-12,14-15,17-19H,13,16,20H2,(H,31,32,33,34)/b14-11+.
What are the key properties of 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline?
2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline has a molecular weight of 456.55 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 70342259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).