tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate

C25H24N2O2 — CID 155566330

IUPACtert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate
SMILESC=C(c1ccc2c(ccn2C(=O)OC(C)(C)C)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C25H24N2O2/c1-16-14-21(20-8-6-7-9-22(20)26-16)17(2)18-10-11-23-19(15-18)12-13-27(23)24(28)29-25(3,4)5/h6-15H,2H2,1,3-5H3
InChIKeyWRPNTNRCXQEFDZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.34
Rot. Bonds2

About tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate

tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate (PubChem CID 155566330) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate
PubChem CID155566330
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Nametert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate
SMILESC=C(c1ccc2c(ccn2C(=O)OC(C)(C)C)c1)c1cc(C)nc2ccccc12
InChIInChI=1S/C25H24N2O2/c1-16-14-21(20-8-6-7-9-22(20)26-16)17(2)18-10-11-23-19(15-18)12-13-27(23)24(28)29-25(3,4)5/h6-15H,2H2,1,3-5H3
InChIKeyWRPNTNRCXQEFDZ-UHFFFAOYSA-N
XLogP6.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate (CID 155566330) is tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate is C=C(c1ccc2c(ccn2C(=O)OC(C)(C)C)c1)c1cc(C)nc2ccccc12.
What is the InChIKey of tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate?
The InChIKey is WRPNTNRCXQEFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-16-14-21(20-8-6-7-9-22(20)26-16)17(2)18-10-11-23-19(15-18)12-13-27(23)24(28)29-25(3,4)5/h6-15H,2H2,1,3-5H3.
What are the key properties of tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate?
tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[1-(2-methylquinolin-4-yl)ethenyl]indole-1-carboxylate is sourced from PubChem (CID 155566330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).