1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea

C23H27FN4O3 — CID 102156523

IUPAC1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea
SMILESCCCCC1C(=O)Nc2cc(NC(=O)Nc3ccc(F)cc3)c(N3CCOCC3)cc21
InChIInChI=1S/C23H27FN4O3/c1-2-3-4-17-18-13-21(28-9-11-31-12-10-28)20(14-19(18)26-22(17)29)27-23(30)25-16-7-5-15(24)6-8-16/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,26,29)(H2,25,27,30)
InChIKeyDXUQSKDHHOTPQX-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.53
Rot. Bonds6

About 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea

1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea (PubChem CID 102156523) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea
PubChem CID102156523
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea
SMILESCCCCC1C(=O)Nc2cc(NC(=O)Nc3ccc(F)cc3)c(N3CCOCC3)cc21
InChIInChI=1S/C23H27FN4O3/c1-2-3-4-17-18-13-21(28-9-11-31-12-10-28)20(14-19(18)26-22(17)29)27-23(30)25-16-7-5-15(24)6-8-16/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,26,29)(H2,25,27,30)
InChIKeyDXUQSKDHHOTPQX-UHFFFAOYSA-N
XLogP4.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-Dimethyl-2-oxo-6-(piperidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-phenylacetamide
CID 22433053
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide
CID 15989978
4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide
CID 15990288
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 15989982
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-methylbenzamide
CID 15990292
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzamide
CID 24789802
N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
CID 162662893
N-(3,4-difluorobenzyl)-1-(2-ethoxyethyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 70705260
1-(4-Fluorophenyl)-3-(5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)urea
CID 102156520
1-[5-(Dipropylamino)-2-oxo-3-prop-2-enyl-1,3-dihydroindol-6-yl]-3-(4-fluorophenyl)urea
CID 122184158
1-(4-fluorophenyl)-3-[(3Z)-3-[(4-fluorophenyl)methylidene]-5-morpholin-4-yl-2-oxo-1H-indol-6-yl]urea
CID 122184166
N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide
CID 162654590

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea (CID 102156523) is 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea is CCCCC1C(=O)Nc2cc(NC(=O)Nc3ccc(F)cc3)c(N3CCOCC3)cc21.
What is the InChIKey of 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea?
The InChIKey is DXUQSKDHHOTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-2-3-4-17-18-13-21(28-9-11-31-12-10-28)20(14-19(18)26-22(17)29)27-23(30)25-16-7-5-15(24)6-8-16/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,26,29)(H2,25,27,30).
What are the key properties of 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea?
1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea has a molecular weight of 426.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-5-morpholin-4-yl-2-oxo-1,3-dihydroindol-6-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 102156523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).