9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one

C13H10N2O2 — CID 58424967

IUPAC9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1ccc2[nH]c(=O)c3cccnc3c2c1
InChIInChI=1S/C13H10N2O2/c1-17-8-4-5-11-10(7-8)12-9(13(16)15-11)3-2-6-14-12/h2-7H,1H3,(H,15,16)
InChIKeyIFMRFCJWRIKSAB-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.08
Rot. Bonds1

About 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one

9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424967) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424967
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1ccc2[nH]c(=O)c3cccnc3c2c1
InChIInChI=1S/C13H10N2O2/c1-17-8-4-5-11-10(7-8)12-9(13(16)15-11)3-2-6-14-12/h2-7H,1H3,(H,15,16)
InChIKeyIFMRFCJWRIKSAB-UHFFFAOYSA-N
XLogP2.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
CID 142818668
3-methoxy-5H-phenanthridin-6-one
CID 12706603
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one
CID 137303794
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 154585320
2-(2-hydroxy-5-methoxy-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
CID 135927736
13-methoxy-8-thia-6,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 10778313
2-(4-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135405767
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 117261312

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one (CID 58424967) is 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one is COc1ccc2[nH]c(=O)c3cccnc3c2c1.
What is the InChIKey of 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is IFMRFCJWRIKSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-8-4-5-11-10(7-8)12-9(13(16)15-11)3-2-6-14-12/h2-7H,1H3,(H,15,16).
What are the key properties of 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one?
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 226.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).