(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate

C22H24N2O4 — CID 56586442

IUPAC(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCC3CN(Cc4ccccc4)CCO3)[nH]c2c1
InChIInChI=1S/C22H24N2O4/c1-26-18-8-7-17-11-21(23-20(17)12-18)22(25)28-15-19-14-24(9-10-27-19)13-16-5-3-2-4-6-16/h2-8,11-12,19,23H,9-10,13-15H2,1H3
InChIKeyDQYAAAIFDSRWRK-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.23
Rot. Bonds6

About (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate

(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate (PubChem CID 56586442) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
PubChem CID56586442
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCC3CN(Cc4ccccc4)CCO3)[nH]c2c1
InChIInChI=1S/C22H24N2O4/c1-26-18-8-7-17-11-21(23-20(17)12-18)22(25)28-15-19-14-24(9-10-27-19)13-16-5-3-2-4-6-16/h2-8,11-12,19,23H,9-10,13-15H2,1H3
InChIKeyDQYAAAIFDSRWRK-UHFFFAOYSA-N
XLogP3.23
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 56586482
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate (CID 56586442) is (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate is COc1ccc2cc(C(=O)OCC3CN(Cc4ccccc4)CCO3)[nH]c2c1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate?
The InChIKey is DQYAAAIFDSRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-18-8-7-17-11-21(23-20(17)12-18)22(25)28-15-19-14-24(9-10-27-19)13-16-5-3-2-4-6-16/h2-8,11-12,19,23H,9-10,13-15H2,1H3.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate?
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 56586442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).