(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone

C23H26Cl2N2O3 — CID 164626348

IUPAC(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc2c(c1)C(CCN1CCOCC1)C(C)N2C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H26Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyRBNMBONHKHXEKE-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.86
Rot. Bonds5

About (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone

(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 164626348) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID164626348
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc2c(c1)C(CCN1CCOCC1)C(C)N2C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H26Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyRBNMBONHKHXEKE-UHFFFAOYSA-N
XLogP4.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone (CID 164626348) is (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone is COc1ccc2c(c1)C(CCN1CCOCC1)C(C)N2C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is RBNMBONHKHXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14-15,17H,8-13H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone?
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 449.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 164626348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).