(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

C22H22FN3O2 — CID 110634557

IUPAC(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H22FN3O2/c1-14-21(18-13-16(23)2-4-19(18)24-14)22(27)26-7-6-15-12-17(3-5-20(15)26)25-8-10-28-11-9-25/h2-5,12-13,24H,6-11H2,1H3
InChIKeyQXAIGQSUCGKBNG-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.65
Rot. Bonds2

About (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110634557) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110634557
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H22FN3O2/c1-14-21(18-13-16(23)2-4-19(18)24-14)22(27)26-7-6-15-12-17(3-5-20(15)26)25-8-10-28-11-9-25/h2-5,12-13,24H,6-11H2,1H3
InChIKeyQXAIGQSUCGKBNG-UHFFFAOYSA-N
XLogP3.65
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634555
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634556
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110623201
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
CID 110623482
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 110634557) is (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is Cc1[nH]c2ccc(F)cc2c1C(=O)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QXAIGQSUCGKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-21(18-13-16(23)2-4-19(18)24-14)22(27)26-7-6-15-12-17(3-5-20(15)26)25-8-10-28-11-9-25/h2-5,12-13,24H,6-11H2,1H3.
What are the key properties of (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 379.44 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110634557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).