methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate

C17H20ClN3O4 — CID 661253

IUPACmethyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1
InChIInChI=1S/C17H20ClN3O4/c1-24-17(23)16-15(12-10-11(18)2-3-13(12)19-16)20-14(22)4-5-21-6-8-25-9-7-21/h2-3,10,19H,4-9H2,1H3,(H,20,22)
InChIKeyFHHOEWXRJBZFSB-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.27
Rot. Bonds5

About methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate

methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate (PubChem CID 661253) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
PubChem CID661253
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Namemethyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1
InChIInChI=1S/C17H20ClN3O4/c1-24-17(23)16-15(12-10-11(18)2-3-13(12)19-16)20-14(22)4-5-21-6-8-25-9-7-21/h2-3,10,19H,4-9H2,1H3,(H,20,22)
InChIKeyFHHOEWXRJBZFSB-UHFFFAOYSA-N
XLogP2.27
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate (CID 661253) is methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1.
What is the InChIKey of methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
The InChIKey is FHHOEWXRJBZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-24-17(23)16-15(12-10-11(18)2-3-13(12)19-16)20-14(22)4-5-21-6-8-25-9-7-21/h2-3,10,19H,4-9H2,1H3,(H,20,22).
What are the key properties of methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate has a molecular weight of 365.82 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-(3-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 661253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).