8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one

C19H14N2O — CID 102599004

IUPAC8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
SMILESCc1ccc2nc3cc(-c4ccccc4)[nH]c(=O)c3cc2c1
InChIInChI=1S/C19H14N2O/c1-12-7-8-16-14(9-12)10-15-18(20-16)11-17(21-19(15)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)
InChIKeySIDGDSATBHWQOG-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.05
Rot. Bonds1

About 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one

8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one (PubChem CID 102599004) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
PubChem CID102599004
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
SMILESCc1ccc2nc3cc(-c4ccccc4)[nH]c(=O)c3cc2c1
InChIInChI=1S/C19H14N2O/c1-12-7-8-16-14(9-12)10-15-18(20-16)11-17(21-19(15)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22)
InChIKeySIDGDSATBHWQOG-UHFFFAOYSA-N
XLogP4.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 131851212
2,7-dimethylacridine
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CID 102134774
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
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CID 621416
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CID 135999600
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid
CID 137108828
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
6-methyl-1H-[1,2]oxazolo[3,4-b]quinolin-3-one
CID 153321138
5-[(6-methyl-2-methylsulfanylquinolin-3-yl)methyl]-3-phenyl-1H-pyridazin-6-one
CID 155806296

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one?
The IUPAC name of 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one (CID 102599004) is 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one.
What is the SMILES notation for 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one?
The canonical SMILES for 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one is Cc1ccc2nc3cc(-c4ccccc4)[nH]c(=O)c3cc2c1.
What is the InChIKey of 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one?
The InChIKey is SIDGDSATBHWQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-12-7-8-16-14(9-12)10-15-18(20-16)11-17(21-19(15)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22).
What are the key properties of 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one?
8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one is sourced from PubChem (CID 102599004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).