1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione

C19H14N2O2 — CID 2731126

IUPAC1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CNc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C19H14N2O2/c22-18-16-7-3-4-8-17(16)21(19(18)23)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2
InChIKeyRGIFBNSLZLAVPT-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.44
Rot. Bonds3

About 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione

1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione (PubChem CID 2731126) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione
PubChem CID2731126
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CNc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C19H14N2O2/c22-18-16-7-3-4-8-17(16)21(19(18)23)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2
InChIKeyRGIFBNSLZLAVPT-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione?
The IUPAC name of 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione (CID 2731126) is 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione is O=C1C(=O)N(CNc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione?
The InChIKey is RGIFBNSLZLAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-18-16-7-3-4-8-17(16)21(19(18)23)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2.
What are the key properties of 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione?
1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione has a molecular weight of 302.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(naphthalen-2-ylamino)methyl]indole-2,3-dione is sourced from PubChem (CID 2731126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).