3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one

C24H21N3O2 — CID 16731095

IUPAC3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one
SMILESCc1cccc(Cn2nc(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)n1
InChIInChI=1S/C24H21N3O2/c1-15-11-12-18(13-16(15)2)23(28)22-24(29)20-9-4-5-10-21(20)27(26-22)14-19-8-6-7-17(3)25-19/h4-13H,14H2,1-3H3
InChIKeyDOGNUGRXARWRRB-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.00
Rot. Bonds4

About 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one

3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one (PubChem CID 16731095) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one
PubChem CID16731095
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one
SMILESCc1cccc(Cn2nc(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)n1
InChIInChI=1S/C24H21N3O2/c1-15-11-12-18(13-16(15)2)23(28)22-24(29)20-9-4-5-10-21(20)27(26-22)14-19-8-6-7-17(3)25-19/h4-13H,14H2,1-3H3
InChIKeyDOGNUGRXARWRRB-UHFFFAOYSA-N
XLogP4.00
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one?
The IUPAC name of 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one (CID 16731095) is 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one.
What is the SMILES notation for 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one?
The canonical SMILES for 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one is Cc1cccc(Cn2nc(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)n1.
What is the InChIKey of 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one?
The InChIKey is DOGNUGRXARWRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-11-12-18(13-16(15)2)23(28)22-24(29)20-9-4-5-10-21(20)27(26-22)14-19-8-6-7-17(3)25-19/h4-13H,14H2,1-3H3.
What are the key properties of 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one?
3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one has a molecular weight of 383.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylbenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]cinnolin-4-one is sourced from PubChem (CID 16731095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).