[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone

C30H32N4O4 — CID 10673329

IUPAC[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
SMILESCOc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2
InChIInChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3
InChIKeyAXGKNTNGRRGWAT-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.17
Rot. Bonds8

About [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone

[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone (PubChem CID 10673329) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
PubChem CID10673329
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
SMILESCOc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2
InChIInChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3
InChIKeyAXGKNTNGRRGWAT-UHFFFAOYSA-N
XLogP5.17
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone with MolForge

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Related Compounds

SB 216641
CID 3292447
SB 224289
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CID 10577268
SB 224289 hydrochloride
CID 11226716
[5-methoxy-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
CID 44402894
N-[4-iodo-3-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride
CID 44533221
N-[4-iodo-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride
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CID 25110404
3-[5-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-ol
CID 59145465
[2-methyl-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
CID 52942363
SB 216641 hydrochloride
CID 10392025
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CID 25110402

Frequently Asked Questions

What is the IUPAC name of [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The IUPAC name of [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone (CID 10673329) is [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone.
What is the SMILES notation for [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The canonical SMILES for [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone is COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2.
What is the InChIKey of [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The InChIKey is AXGKNTNGRRGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3.
What are the key properties of [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
[6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone has a molecular weight of 512.61 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(dimethylamino)ethoxy]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone is sourced from PubChem (CID 10673329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).