4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one

C24H27ClN2O2 — CID 25031764

IUPAC4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one
SMILESCc1c(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H27ClN2O2/c1-18-21(8-5-9-24(28)26-12-14-29-15-13-26)22-16-20(25)10-11-23(22)27(18)17-19-6-3-2-4-7-19/h2-4,6-7,10-11,16H,5,8-9,12-15,17H2,1H3
InChIKeyBCVYHMWMEKYBSQ-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.83
Rot. Bonds6

About 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one

4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one (PubChem CID 25031764) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one
PubChem CID25031764
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one
SMILESCc1c(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H27ClN2O2/c1-18-21(8-5-9-24(28)26-12-14-29-15-13-26)22-16-20(25)10-11-23(22)27(18)17-19-6-3-2-4-7-19/h2-4,6-7,10-11,16H,5,8-9,12-15,17H2,1H3
InChIKeyBCVYHMWMEKYBSQ-UHFFFAOYSA-N
XLogP4.83
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-{3-[5-Chloro-2-(4-Chlorophenyl)-1-Methyl-1H-Indol-3-yl]-1-Oxopropyl}-4-(Phenylmethyl)-4-Piperidinol
CID 10098209
2-[3-[(3-chlorophenyl)-methylcarbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid
CID 11640178
1-Benzyl-4-{3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-2-one
CID 18669080
1-(4-Benzyl-piperazin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 18669091
1-(4-Benzyl-4-fluoro-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334127
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
N-(1-{3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperidin-4-yl)-N-phenyl-propionamide
CID 44333730
1-(4-Acetyl-4-phenyl-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334107
2-(4-{3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-1-yl)-N-methyl-N-phenyl-acetamide
CID 44334114
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclohexyl-piperazin-1-yl)-propan-1-one
CID 44334149
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(3-methyl-butyl)-piperazin-1-yl]-propan-1-one
CID 44334275
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one (CID 25031764) is 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one is Cc1c(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is BCVYHMWMEKYBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-18-21(8-5-9-24(28)26-12-14-29-15-13-26)22-16-20(25)10-11-23(22)27(18)17-19-6-3-2-4-7-19/h2-4,6-7,10-11,16H,5,8-9,12-15,17H2,1H3.
What are the key properties of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 410.95 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 25031764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).