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

C19H15ClN2O — CID 3806635

IUPAC2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1Cl)-c1ccccc1CC2
InChIInChI=1S/C19H15ClN2O/c20-17-8-4-2-6-15(17)12-22-18(23)11-14-10-9-13-5-1-3-7-16(13)19(14)21-22/h1-8,11H,9-10,12H2
InChIKeyVAMNWBLTRFSJJP-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.71
Rot. Bonds2

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

2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one (PubChem CID 3806635) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
PubChem CID3806635
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1Cl)-c1ccccc1CC2
InChIInChI=1S/C19H15ClN2O/c20-17-8-4-2-6-15(17)12-22-18(23)11-14-10-9-13-5-1-3-7-16(13)19(14)21-22/h1-8,11H,9-10,12H2
InChIKeyVAMNWBLTRFSJJP-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-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one (CID 3806635) is 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one is O=c1cc2c(nn1Cc1ccccc1Cl)-c1ccccc1CC2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The InChIKey is VAMNWBLTRFSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-17-8-4-2-6-15(17)12-22-18(23)11-14-10-9-13-5-1-3-7-16(13)19(14)21-22/h1-8,11H,9-10,12H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
2-[(2-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-[(2-chlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 3806635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).