(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

C20H22N2O2 — CID 110316193

IUPAC(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-15-2-4-16(5-3-15)20(23)22-9-8-17-14-18(6-7-19(17)22)21-10-12-24-13-11-21/h2-7,14H,8-13H2,1H3
InChIKeyLAEKBMQSQAQDAD-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.03
Rot. Bonds2

About (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110316193) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110316193
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-15-2-4-16(5-3-15)20(23)22-9-8-17-14-18(6-7-19(17)22)21-10-12-24-13-11-21/h2-7,14H,8-13H2,1H3
InChIKeyLAEKBMQSQAQDAD-UHFFFAOYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
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
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634556
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634555
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634557
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110316006
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 110316193) is (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is Cc1ccc(C(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1.
What is the InChIKey of (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LAEKBMQSQAQDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-2-4-16(5-3-15)20(23)22-9-8-17-14-18(6-7-19(17)22)21-10-12-24-13-11-21/h2-7,14H,8-13H2,1H3.
What are the key properties of (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110316193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).