[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone

C20H18N2O3 — CID 91679646

IUPAC[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(N)c1
InChIInChI=1S/C20H18N2O3/c1-24-14-6-7-15(16(21)12-14)18-8-9-19(25-18)20(23)22-11-10-13-4-2-3-5-17(13)22/h2-9,12H,10-11,21H2,1H3
InChIKeyIREHXEDNXIOVIY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.74
Rot. Bonds3

About [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone

[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 91679646) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID91679646
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(N)c1
InChIInChI=1S/C20H18N2O3/c1-24-14-6-7-15(16(21)12-14)18-8-9-19(25-18)20(23)22-11-10-13-4-2-3-5-17(13)22/h2-9,12H,10-11,21H2,1H3
InChIKeyIREHXEDNXIOVIY-UHFFFAOYSA-N
XLogP3.74
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 1017781
N-[5-(2,3-dihydroindole-1-carbonyl)furan-2-yl]acetamide
CID 110699898
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487
2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 47845275
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
2,3-dihydroindol-1-yl-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110856980
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone (CID 91679646) is [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone is COc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(N)c1.
What is the InChIKey of [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is IREHXEDNXIOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-14-6-7-15(16(21)12-14)18-8-9-19(25-18)20(23)22-11-10-13-4-2-3-5-17(13)22/h2-9,12H,10-11,21H2,1H3.
What are the key properties of [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone?
[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 91679646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).