3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione

C23H14ClNO3 — CID 142758267

IUPAC3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione
SMILESCn1c(Cl)c(C2=C(c3cccc4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C23H14ClNO3/c1-25-17-12-5-4-10-16(17)18(21(25)24)20-19(22(26)28-23(20)27)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyDQJATNBLVBHNMF-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.98
Rot. Bonds2

About 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione

3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione (PubChem CID 142758267) has the molecular formula C23H14ClNO3 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione.

Molecular Properties

Compound Name3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione
PubChem CID142758267
Molecular FormulaC23H14ClNO3
Molecular Weight387.82 g/mol
Exact Mass387.07
IUPAC Name3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione
SMILESCn1c(Cl)c(C2=C(c3cccc4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C23H14ClNO3/c1-25-17-12-5-4-10-16(17)18(21(25)24)20-19(22(26)28-23(20)27)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyDQJATNBLVBHNMF-UHFFFAOYSA-N
XLogP4.98
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
3-(1,2-dimethylindol-3-yl)-4-(2,4,5-trimethylthiophen-3-yl)furan-2,5-dione
CID 11772955
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303
2,5-dimethyl-1,4-dinaphthalen-1-ylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 22648583
2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
CID 22501380
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
CID 4900233
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide
CID 7647127
3-(2-chloro-1-methylindol-3-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-phenylethyl)pyrrole-2,5-dione
CID 142758683
1-benzyl-3-chloro-4-naphthalen-1-ylpyrrole-2,5-dione
CID 101463222
4-(2,6-dimethylphenyl)-1-methylquinolin-2-one
CID 135055452

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione?
The IUPAC name of 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione (CID 142758267) is 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione.
What is the SMILES notation for 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione?
The canonical SMILES for 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione is Cn1c(Cl)c(C2=C(c3cccc4ccccc34)C(=O)OC2=O)c2ccccc21.
What is the InChIKey of 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione?
The InChIKey is DQJATNBLVBHNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO3/c1-25-17-12-5-4-10-16(17)18(21(25)24)20-19(22(26)28-23(20)27)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3.
What are the key properties of 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione?
3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione has a molecular weight of 387.82 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1-methylindol-3-yl)-4-naphthalen-1-ylfuran-2,5-dione is sourced from PubChem (CID 142758267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).