methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate

C21H21N3O3 — CID 658682

IUPACmethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C21H21N3O3/c1-27-21(26)20-19(15-9-3-4-10-16(15)22-20)23-18(25)13-24-12-6-8-14-7-2-5-11-17(14)24/h2-5,7,9-11,22H,6,8,12-13H2,1H3,(H,23,25)
InChIKeyQOZRHSJQMFPLSD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.35
Rot. Bonds4

About methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate

methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate (PubChem CID 658682) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
PubChem CID658682
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C21H21N3O3/c1-27-21(26)20-19(15-9-3-4-10-16(15)22-20)23-18(25)13-24-12-6-8-14-7-2-5-11-17(14)24/h2-5,7,9-11,22H,6,8,12-13H2,1H3,(H,23,25)
InChIKeyQOZRHSJQMFPLSD-UHFFFAOYSA-N
XLogP3.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-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 methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate (CID 658682) is methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
The InChIKey is QOZRHSJQMFPLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-21(26)20-19(15-9-3-4-10-16(15)22-20)23-18(25)13-24-12-6-8-14-7-2-5-11-17(14)24/h2-5,7,9-11,22H,6,8,12-13H2,1H3,(H,23,25).
What are the key properties of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate?
methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 658682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).