methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate

C22H23N3O3 — CID 658948

IUPACmethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H23N3O3/c1-14-9-10-17-16(12-14)20(21(23-17)22(27)28-2)24-19(26)13-25-11-5-7-15-6-3-4-8-18(15)25/h3-4,6,8-10,12,23H,5,7,11,13H2,1-2H3,(H,24,26)
InChIKeyCMIYMWHBLLWGMK-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.65
Rot. Bonds4

About methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate

methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate (PubChem CID 658948) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate
PubChem CID658948
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namemethyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H23N3O3/c1-14-9-10-17-16(12-14)20(21(23-17)22(27)28-2)24-19(26)13-25-11-5-7-15-6-3-4-8-18(15)25/h3-4,6,8-10,12,23H,5,7,11,13H2,1-2H3,(H,24,26)
InChIKeyCMIYMWHBLLWGMK-UHFFFAOYSA-N
XLogP3.65
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate (CID 658948) is methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
The InChIKey is CMIYMWHBLLWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-9-10-17-16(12-14)20(21(23-17)22(27)28-2)24-19(26)13-25-11-5-7-15-6-3-4-8-18(15)25/h3-4,6,8-10,12,23H,5,7,11,13H2,1-2H3,(H,24,26).
What are the key properties of methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate?
methyl 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-5-methyl-1H-indole-2-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.65, 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]-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 658948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).