methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate

C32H34N4O5 — CID 144637267

IUPACmethyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2C(Nc1ccc2c(c1)CCN2C(=O)CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C32H34N4O5/c1-40-32(39)23-7-9-25-26(20-23)34-31(38)29(25)30(21-5-3-2-4-6-21)33-24-8-10-27-22(19-24)11-14-36(27)28(37)12-13-35-15-17-41-18-16-35/h2-10,19-20,29-30,33H,11-18H2,1H3,(H,34,38)
InChIKeyOORHYIUHOQHFTN-UHFFFAOYSA-N
MW554.65 g/mol
LogP3.97
Rot. Bonds8

About methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate

methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate (PubChem CID 144637267) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate
PubChem CID144637267
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC Namemethyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2C(Nc1ccc2c(c1)CCN2C(=O)CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C32H34N4O5/c1-40-32(39)23-7-9-25-26(20-23)34-31(38)29(25)30(21-5-3-2-4-6-21)33-24-8-10-27-22(19-24)11-14-36(27)28(37)12-13-35-15-17-41-18-16-35/h2-10,19-20,29-30,33H,11-18H2,1H3,(H,34,38)
InChIKeyOORHYIUHOQHFTN-UHFFFAOYSA-N
XLogP3.97
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate with MolForge

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Related Compounds

Methyl 3-[[3,3-diphenylpropyl(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 69026659
Methyl 3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 60136078
Ethyl 3-[3-(4-fluorophenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamido]benzoate
CID 16022496
Methyl 5-[(biphenyl-4-ylmethyl)amino]-2-(morpholin-4-yl)benzoate
CID 4728006
Ethyl 5-[(diphenylacetyl)amino]-2-(morpholin-4-yl)benzoate
CID 16469709
Ethyl 3-[(1-methyl-2,3,6,7-tetrahydropyrrolo[2,3-f]indole-5-carbonyl)amino]benzoate
CID 44212832
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 4147834
Methyl 3-[1-(1-acetyl-2,3-dihydro-1H-indol-5-YL)-5-oxopyrrolidine-3-amido]benzoate
CID 53155700
Benzyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-fluoro-3-piperazin-1-ylbenzoate
CID 68942958
methyl 4-[(Z)-1-(4-fluorophenyl)-1-[[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]amino]-3-oxoprop-1-en-2-yl]-3-methylbenzoate
CID 90210166
methyl 4-[(Z)-1-[[1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-2,3-dihydroindol-5-yl]amino]-3-oxo-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-3-methylbenzoate
CID 90210178
methyl 3-[C-(4-fluorophenyl)-N-[1-[2-(4-methylpiperazin-1-yl)acetyl]-2,3-dihydroindol-5-yl]carbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 123318453

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate (CID 144637267) is methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C2C(Nc1ccc2c(c1)CCN2C(=O)CCN1CCOCC1)c1ccccc1.
What is the InChIKey of methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
The InChIKey is OORHYIUHOQHFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-40-32(39)23-7-9-25-26(20-23)34-31(38)29(25)30(21-5-3-2-4-6-21)33-24-8-10-27-22(19-24)11-14-36(27)28(37)12-13-35-15-17-41-18-16-35/h2-10,19-20,29-30,33H,11-18H2,1H3,(H,34,38).
What are the key properties of methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate has a molecular weight of 554.65 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[1-(3-morpholin-4-ylpropanoyl)-2,3-dihydroindol-5-yl]amino]-phenylmethyl]-2-oxo-1,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 144637267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).