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

C23H24Cl2N2O3 — CID 140574520

IUPAC(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone
SMILESCOc1ccc2c(c1)c(C(C)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H24Cl2N2O3/c1-14(26-9-11-30-12-10-26)21-15(2)27(20-8-7-16(29-3)13-18(20)21)23(28)17-5-4-6-19(24)22(17)25/h4-8,13-14H,9-12H2,1-3H3
InChIKeySIGXPFWVIHDHTB-UHFFFAOYSA-N
MW447.36 g/mol
LogP5.35
Rot. Bonds4

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

(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone (PubChem CID 140574520) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone
PubChem CID140574520
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC Name(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone
SMILESCOc1ccc2c(c1)c(C(C)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H24Cl2N2O3/c1-14(26-9-11-30-12-10-26)21-15(2)27(20-8-7-16(29-3)13-18(20)21)23(28)17-5-4-6-19(24)22(17)25/h4-8,13-14H,9-12H2,1-3H3
InChIKeySIGXPFWVIHDHTB-UHFFFAOYSA-N
XLogP5.35
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride
CID 24849093
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]methanone
CID 164626348
[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate
CID 57252388
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
4-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-naphthalen-1-ylmethyl]azetidin-2-one
CID 162370896
2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid
CID 175202361
2-[3-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]phenoxy]propanoic acid
CID 10184159
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone (CID 140574520) is (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone is COc1ccc2c(c1)c(C(C)N1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone?
The InChIKey is SIGXPFWVIHDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3/c1-14(26-9-11-30-12-10-26)21-15(2)27(20-8-7-16(29-3)13-18(20)21)23(28)17-5-4-6-19(24)22(17)25/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone?
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone has a molecular weight of 447.36 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(1-morpholin-4-ylethyl)indol-1-yl]methanone is sourced from PubChem (CID 140574520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).