1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one

C20H18N2O2 — CID 71728903

IUPAC1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)C(n3cccc3)c3ccccc32)cc1
InChIInChI=1S/C20H18N2O2/c1-24-16-10-8-15(9-11-16)14-22-18-7-3-2-6-17(18)19(20(22)23)21-12-4-5-13-21/h2-13,19H,14H2,1H3
InChIKeyGJICQGRURJSJMC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one

1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one (PubChem CID 71728903) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
PubChem CID71728903
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)C(n3cccc3)c3ccccc32)cc1
InChIInChI=1S/C20H18N2O2/c1-24-16-10-8-15(9-11-16)14-22-18-7-3-2-6-17(18)19(20(22)23)21-12-4-5-13-21/h2-13,19H,14H2,1H3
InChIKeyGJICQGRURJSJMC-UHFFFAOYSA-N
XLogP3.63
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
CID 69040290
3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
CID 70055125
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
1-benzyl-3-[N-[bis(dimethylamino)phosphoryl]-4-methoxyanilino]-3H-indol-2-one
CID 73334570
1-benzyl-5-nitro-3-pyrrol-1-yl-3H-indol-2-one
CID 102276840
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
CID 102289299
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one (CID 71728903) is 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one is COc1ccc(CN2C(=O)C(n3cccc3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one?
The InChIKey is GJICQGRURJSJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-16-10-8-15(9-11-16)14-22-18-7-3-2-6-17(18)19(20(22)23)21-12-4-5-13-21/h2-13,19H,14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one?
1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one is sourced from PubChem (CID 71728903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).