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

C29H29ClN4O3 — CID 23204414

IUPAC[5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc(Cl)c(OCCN(C)C)cc54)cc3)c(C)c2)no1
InChIInChI=1S/C29H29ClN4O3/c1-18-15-23(28-31-19(2)37-32-28)9-10-24(18)20-5-7-21(8-6-20)29(35)34-12-11-22-16-25(30)27(17-26(22)34)36-14-13-33(3)4/h5-10,15-17H,11-14H2,1-4H3
InChIKeyOOTXTXJYNGQTJN-UHFFFAOYSA-N
MW517.03 g/mol
LogP5.82
Rot. Bonds7

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

[5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone (PubChem CID 23204414) has the molecular formula C29H29ClN4O3 and a molecular weight of 517.03 g/mol. Its IUPAC name is [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
PubChem CID23204414
Molecular FormulaC29H29ClN4O3
Molecular Weight517.03 g/mol
Exact Mass516.19
IUPAC Name[5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc(Cl)c(OCCN(C)C)cc54)cc3)c(C)c2)no1
InChIInChI=1S/C29H29ClN4O3/c1-18-15-23(28-31-19(2)37-32-28)9-10-24(18)20-5-7-21(8-6-20)29(35)34-12-11-22-16-25(30)27(17-26(22)34)36-14-13-33(3)4/h5-10,15-17H,11-14H2,1-4H3
InChIKeyOOTXTXJYNGQTJN-UHFFFAOYSA-N
XLogP5.82
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.03
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[2-(dimethylamino)ethoxy]-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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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The IUPAC name of [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone (CID 23204414) is [5-chloro-6-[2-(dimethylamino)ethoxy]-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 [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The canonical SMILES for [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone is Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc(Cl)c(OCCN(C)C)cc54)cc3)c(C)c2)no1.
What is the InChIKey of [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The InChIKey is OOTXTXJYNGQTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3/c1-18-15-23(28-31-19(2)37-32-28)9-10-24(18)20-5-7-21(8-6-20)29(35)34-12-11-22-16-25(30)27(17-26(22)34)36-14-13-33(3)4/h5-10,15-17H,11-14H2,1-4H3.
What are the key properties of [5-chloro-6-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
[5-chloro-6-[2-(dimethylamino)ethoxy]-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 517.03 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-(dimethylamino)ethoxy]-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 23204414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).