7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one

C15H11N3O3 — CID 11391873

IUPAC7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)[nH]c2n1
InChIInChI=1S/C15H11N3O3/c1-9-5-6-12-14(19)8-13(17-15(12)16-9)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyQAVDYADXEMGPAB-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.81
Rot. Bonds2

About 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one

7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one (PubChem CID 11391873) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one
PubChem CID11391873
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)[nH]c2n1
InChIInChI=1S/C15H11N3O3/c1-9-5-6-12-14(19)8-13(17-15(12)16-9)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyQAVDYADXEMGPAB-UHFFFAOYSA-N
XLogP2.81
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
N-(4,6-Dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 896056
Benzamide, N-(2-methyl-6-pyridyl)-p-nitro-
CID 216673
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
3-Acyl-2,6-diaminopyridine deriv. 2j
CID 5330824
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
N-(6-methylpyridin-2-yl)-2-nitrobenzamide
CID 771902
N-(6-methyl-2-pyridinyl)-5-nitro-2-(1-piperidinyl)benzamide
CID 2970193
4-methyl-2-(4-nitrophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one
CID 5345351
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one (CID 11391873) is 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)[nH]c2n1.
What is the InChIKey of 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is QAVDYADXEMGPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-9-5-6-12-14(19)8-13(17-15(12)16-9)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one?
7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 281.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-nitrophenyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 11391873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).