1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione

C23H26N2O4 — CID 110634574

IUPAC1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)N2CCc3cc(N4CCOCC4)ccc32)c1
InChIInChI=1S/C23H26N2O4/c1-28-20-4-2-3-18(16-20)22(26)7-8-23(27)25-10-9-17-15-19(5-6-21(17)25)24-11-13-29-14-12-24/h2-6,15-16H,7-14H2,1H3
InChIKeyKVRSGVNHOCRIKJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione

1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione (PubChem CID 110634574) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
PubChem CID110634574
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESCOc1cccc(C(=O)CCC(=O)N2CCc3cc(N4CCOCC4)ccc32)c1
InChIInChI=1S/C23H26N2O4/c1-28-20-4-2-3-18(16-20)22(26)7-8-23(27)25-10-9-17-15-19(5-6-21(17)25)24-11-13-29-14-12-24/h2-6,15-16H,7-14H2,1H3
InChIKeyKVRSGVNHOCRIKJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634495
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110634578
1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110624362
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
The IUPAC name of 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione (CID 110634574) is 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione is COc1cccc(C(=O)CCC(=O)N2CCc3cc(N4CCOCC4)ccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
The InChIKey is KVRSGVNHOCRIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-20-4-2-3-18(16-20)22(26)7-8-23(27)25-10-9-17-15-19(5-6-21(17)25)24-11-13-29-14-12-24/h2-6,15-16H,7-14H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione?
1-(3-methoxyphenyl)-4-(5-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-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione is sourced from PubChem (CID 110634574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).