1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione

C23H26N2O4 — CID 110634495

IUPAC1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C23H26N2O4/c1-28-20-6-3-18(4-7-20)22(26)8-9-23(27)25-11-10-17-2-5-19(16-21(17)25)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3
InChIKeyJEKAOYDWWKUWOM-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione

1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione (PubChem CID 110634495) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
PubChem CID110634495
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C23H26N2O4/c1-28-20-6-3-18(4-7-20)22(26)8-9-23(27)25-11-10-17-2-5-19(16-21(17)25)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3
InChIKeyJEKAOYDWWKUWOM-UHFFFAOYSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione with MolForge

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Related Compounds

1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634411
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634505
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
N-[2-(2-methoxyphenyl)ethyl]-6-morpholin-4-yl-2,3-dihydroindole-1-carboxamide
CID 110634499
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione (CID 110634495) is 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione is COc1ccc(C(=O)CCC(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
The InChIKey is JEKAOYDWWKUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-20-6-3-18(4-7-20)22(26)8-9-23(27)25-11-10-17-2-5-19(16-21(17)25)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione has a molecular weight of 394.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione is sourced from PubChem (CID 110634495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).