(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

C15H17ClN2O2 — CID 94200604

IUPAC(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1c(Cl)c2ccccc2n1C
InChIInChI=1S/C15H17ClN2O2/c1-10-9-20-8-7-18(10)15(19)14-13(16)11-5-3-4-6-12(11)17(14)2/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyVRZDIEPJVFPJTB-SNVBAGLBSA-N
MW292.77 g/mol
LogP2.69
Rot. Bonds1

About (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 94200604) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID94200604
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1c(Cl)c2ccccc2n1C
InChIInChI=1S/C15H17ClN2O2/c1-10-9-20-8-7-18(10)15(19)14-13(16)11-5-3-4-6-12(11)17(14)2/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyVRZDIEPJVFPJTB-SNVBAGLBSA-N
XLogP2.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 94200604) is (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1c(Cl)c2ccccc2n1C.
What is the InChIKey of (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is VRZDIEPJVFPJTB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-9-20-8-7-18(10)15(19)14-13(16)11-5-3-4-6-12(11)17(14)2/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 292.77 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 94200604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).