(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H18BrNO4 — CID 139035061

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC
InChIInChI=1S/C18H18BrNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-5,8-10H,6-7H2,1-3H3
InChIKeyWQEJDTDMFXKTOT-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.68
Rot. Bonds4

About (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 139035061) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID139035061
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC
InChIInChI=1S/C18H18BrNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-5,8-10H,6-7H2,1-3H3
InChIKeyWQEJDTDMFXKTOT-UHFFFAOYSA-N
XLogP3.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
(3,4-diethoxyphenyl)(2,3-dihydro-1H-indol-1-yl)methanone
CID 776356
(2-Methylindolin-1-yl)(3,4,5-trimethoxyphenyl)methanone
CID 607139
N-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-3,4,5-trimethoxybenzamide
CID 990802
1-(3,4,5-Trimethoxybenzoyl)indoline
CID 729922
(3Z)-5-Bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 6075235
Quinoline, 1,2,3,4-tetrahydro-N-(3,4,5-trimethoxybenzoyl)-
CID 118752
N-(4-bromophenyl)-3,4,5-trimethoxybenzamide
CID 1019287
(5-Bromo-2,3-dimethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 322877
6-Methoxy(1,2,3,4-tetrahydroquinolyl) 3,4,5-trimethoxyphenyl ketone
CID 981117
N-[4-bromo-2-(3,4,5-trimethoxybenzoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 2248672
1-(3,4-Dimethoxybenzoyl)-2-methylindoline
CID 2883470

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 139035061) is (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WQEJDTDMFXKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 392.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 139035061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).