2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one

C19H15ClN2O — CID 3809138

IUPAC2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccc(Cl)cc1)-c1ccccc1CC2
InChIInChI=1S/C19H15ClN2O/c20-16-9-5-13(6-10-16)12-22-18(23)11-15-8-7-14-3-1-2-4-17(14)19(15)21-22/h1-6,9-11H,7-8,12H2
InChIKeyCSHMWWQNHDCIRA-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.71
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one

2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one (PubChem CID 3809138) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
PubChem CID3809138
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccc(Cl)cc1)-c1ccccc1CC2
InChIInChI=1S/C19H15ClN2O/c20-16-9-5-13(6-10-16)12-22-18(23)11-15-8-7-14-3-1-2-4-17(14)19(15)21-22/h1-6,9-11H,7-8,12H2
InChIKeyCSHMWWQNHDCIRA-UHFFFAOYSA-N
XLogP3.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one (CID 3809138) is 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one is O=c1cc2c(nn1Cc1ccc(Cl)cc1)-c1ccccc1CC2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The InChIKey is CSHMWWQNHDCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-16-9-5-13(6-10-16)12-22-18(23)11-15-8-7-14-3-1-2-4-17(14)19(15)21-22/h1-6,9-11H,7-8,12H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one has a molecular weight of 322.80 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 3809138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).