(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone

C21H24N2O3 — CID 110315984

IUPAC(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3cc(N4CCCC4)ccc32)c1
InChIInChI=1S/C21H24N2O3/c1-25-18-12-16(13-19(14-18)26-2)21(24)23-10-7-15-11-17(5-6-20(15)23)22-8-3-4-9-22/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyGUXSCCWLPSVPME-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.51
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone

(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110315984) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110315984
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3cc(N4CCCC4)ccc32)c1
InChIInChI=1S/C21H24N2O3/c1-25-18-12-16(13-19(14-18)26-2)21(24)23-10-7-15-11-17(5-6-20(15)23)22-8-3-4-9-22/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyGUXSCCWLPSVPME-UHFFFAOYSA-N
XLogP3.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110316006
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110359620
3-methoxy-5-pyrrolidin-1-ylbenzoic acid
CID 156591947
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone (CID 110315984) is (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone is COc1cc(OC)cc(C(=O)N2CCc3cc(N4CCCC4)ccc32)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is GUXSCCWLPSVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-18-12-16(13-19(14-18)26-2)21(24)23-10-7-15-11-17(5-6-20(15)23)22-8-3-4-9-22/h5-6,11-14H,3-4,7-10H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 352.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110315984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).