6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one

C19H18N2O3 — CID 70380774

IUPAC6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one
SMILESCOc1ccc(-c2cc3cc4c(cc3[nH]2)NC(=O)C4C)c(OC)c1
InChIInChI=1S/C19H18N2O3/c1-10-14-6-11-7-16(20-15(11)9-17(14)21-19(10)22)13-5-4-12(23-2)8-18(13)24-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeySQHCKDKXNNGUMD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.91
Rot. Bonds3

About 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one

6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one (PubChem CID 70380774) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one
PubChem CID70380774
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one
SMILESCOc1ccc(-c2cc3cc4c(cc3[nH]2)NC(=O)C4C)c(OC)c1
InChIInChI=1S/C19H18N2O3/c1-10-14-6-11-7-16(20-15(11)9-17(14)21-19(10)22)13-5-4-12(23-2)8-18(13)24-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeySQHCKDKXNNGUMD-UHFFFAOYSA-N
XLogP3.91
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one (CID 70380774) is 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one is COc1ccc(-c2cc3cc4c(cc3[nH]2)NC(=O)C4C)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one?
The InChIKey is SQHCKDKXNNGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-10-14-6-11-7-16(20-15(11)9-17(14)21-19(10)22)13-5-4-12(23-2)8-18(13)24-3/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one?
6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-3-methyl-3,7-dihydro-1H-pyrrolo[3,2-f]indol-2-one is sourced from PubChem (CID 70380774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).