1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one

C24H20N4O — CID 58525059

IUPAC1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(C)c(C)c5)c4c3c2)cn1
InChIInChI=1S/C24H20N4O/c1-15-4-6-20(10-16(15)2)28-23(29)9-5-18-12-25-22-8-7-19(11-21(22)24(18)28)27-13-17(3)26-14-27/h4-14H,1-3H3
InChIKeyVJXANXKSIBKLCK-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.65
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one

1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 58525059) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID58525059
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(C)c(C)c5)c4c3c2)cn1
InChIInChI=1S/C24H20N4O/c1-15-4-6-20(10-16(15)2)28-23(29)9-5-18-12-25-22-8-7-19(11-21(22)24(18)28)27-13-17(3)26-14-27/h4-14H,1-3H3
InChIKeyVJXANXKSIBKLCK-UHFFFAOYSA-N
XLogP4.65
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one (CID 58525059) is 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one is Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(C)c(C)c5)c4c3c2)cn1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is VJXANXKSIBKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-4-6-20(10-16(15)2)28-23(29)9-5-18-12-25-22-8-7-19(11-21(22)24(18)28)27-13-17(3)26-14-27/h4-14H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?
1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 380.45 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 58525059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).