4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one

C22H19NO — CID 11278424

IUPAC4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C22H19NO/c1-15(24)10-13-20-19-8-4-5-9-21(19)23-22(20)18-12-11-16-6-2-3-7-17(16)14-18/h2-9,11-12,14,23H,10,13H2,1H3
InChIKeyVHPKRSYBZCPLDA-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.51
Rot. Bonds4

About 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one

4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one (PubChem CID 11278424) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one
PubChem CID11278424
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C22H19NO/c1-15(24)10-13-20-19-8-4-5-9-21(19)23-22(20)18-12-11-16-6-2-3-7-17(16)14-18/h2-9,11-12,14,23H,10,13H2,1H3
InChIKeyVHPKRSYBZCPLDA-UHFFFAOYSA-N
XLogP5.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one 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

2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
CID 159486441
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
CID 122183517
N-ethyl-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylprop-2-enyl)propanamide
CID 52539141
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
4-(1H-indol-2-yl)butan-2-one
CID 10954278
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one?
The IUPAC name of 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one (CID 11278424) is 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one?
The canonical SMILES for 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one is CC(=O)CCc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one?
The InChIKey is VHPKRSYBZCPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-15(24)10-13-20-19-8-4-5-9-21(19)23-22(20)18-12-11-16-6-2-3-7-17(16)14-18/h2-9,11-12,14,23H,10,13H2,1H3.
What are the key properties of 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one?
4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one has a molecular weight of 313.40 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one is sourced from PubChem (CID 11278424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).