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

C19H14Cl2N2O — CID 3834807

IUPAC2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1CC2
InChIInChI=1S/C19H14Cl2N2O/c20-15-8-7-14(17(21)10-15)11-23-18(24)9-13-6-5-12-3-1-2-4-16(12)19(13)22-23/h1-4,7-10H,5-6,11H2
InChIKeySZXDMWYXWVPTMI-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.36
Rot. Bonds2

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

2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one (PubChem CID 3834807) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
PubChem CID3834807
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
SMILESO=c1cc2c(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1CC2
InChIInChI=1S/C19H14Cl2N2O/c20-15-8-7-14(17(21)10-15)11-23-18(24)9-13-6-5-12-3-1-2-4-16(12)19(13)22-23/h1-4,7-10H,5-6,11H2
InChIKeySZXDMWYXWVPTMI-UHFFFAOYSA-N
XLogP4.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one (CID 3834807) is 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one is O=c1cc2c(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1CC2.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
The InChIKey is SZXDMWYXWVPTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c20-15-8-7-14(17(21)10-15)11-23-18(24)9-13-6-5-12-3-1-2-4-16(12)19(13)22-23/h1-4,7-10H,5-6,11H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one?
2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one has a molecular weight of 357.24 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one is sourced from PubChem (CID 3834807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).