3-anilino-2H-isoquinolin-1-one

C15H12N2O — CID 2142225

IUPAC3-anilino-2H-isoquinolin-1-one
SMILESO=c1[nH]c(Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C15H12N2O/c18-15-13-9-5-4-6-11(13)10-14(17-15)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,18)
InChIKeyUZQIOQVHUUAJOZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.27
Rot. Bonds2

About 3-anilino-2H-isoquinolin-1-one

3-anilino-2H-isoquinolin-1-one (PubChem CID 2142225) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-anilino-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-anilino-2H-isoquinolin-1-one
PubChem CID2142225
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-anilino-2H-isoquinolin-1-one
SMILESO=c1[nH]c(Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C15H12N2O/c18-15-13-9-5-4-6-11(13)10-14(17-15)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,18)
InChIKeyUZQIOQVHUUAJOZ-UHFFFAOYSA-N
XLogP3.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1853
Benodanil
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Benzanilide
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N'-Phenyl-N-benzoylthiourea
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Q182 4-Anilino-1,2-naphthoquinone
CID 344131
4'-Methylbenzanilide
CID 68497
3-Aminobenzanilide
CID 84347
2-Toluanilide
CID 23466
N-1-Naphthylbenzamide
CID 69448
2'-Methylbenzanilide
CID 71100
Benzamide, N-(4-aminophenyl)-
CID 87196
1-Benzoyl-3-phenylurea
CID 74566

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2H-isoquinolin-1-one?
The IUPAC name of 3-anilino-2H-isoquinolin-1-one (CID 2142225) is 3-anilino-2H-isoquinolin-1-one.
What is the SMILES notation for 3-anilino-2H-isoquinolin-1-one?
The canonical SMILES for 3-anilino-2H-isoquinolin-1-one is O=c1[nH]c(Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-anilino-2H-isoquinolin-1-one?
The InChIKey is UZQIOQVHUUAJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-13-9-5-4-6-11(13)10-14(17-15)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,18).
What are the key properties of 3-anilino-2H-isoquinolin-1-one?
3-anilino-2H-isoquinolin-1-one has a molecular weight of 236.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2H-isoquinolin-1-one is sourced from PubChem (CID 2142225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).