methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate

C14H10N2O3 — CID 10244019

IUPACmethyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
SMILESCOC(=O)c1cccc2c(=O)c3cccnc3[nH]c12
InChIInChI=1S/C14H10N2O3/c1-19-14(18)9-5-2-4-8-11(9)16-13-10(12(8)17)6-3-7-15-13/h2-7H,1H3,(H,15,16,17)
InChIKeyICQSYDYSIBIXEB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.86
Rot. Bonds1

About methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate

methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate (PubChem CID 10244019) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
PubChem CID10244019
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
SMILESCOC(=O)c1cccc2c(=O)c3cccnc3[nH]c12
InChIInChI=1S/C14H10N2O3/c1-19-14(18)9-5-2-4-8-11(9)16-13-10(12(8)17)6-3-7-15-13/h2-7H,1H3,(H,15,16,17)
InChIKeyICQSYDYSIBIXEB-UHFFFAOYSA-N
XLogP1.86
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
CID 135002978
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
CID 6619173
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
CID 143617162
methyl 2-(11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)benzoate
CID 134361330
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-chloro-3-cyano-1H-indole-7-carboxylate
CID 56605259
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate?
The IUPAC name of methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate (CID 10244019) is methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate.
What is the SMILES notation for methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate?
The canonical SMILES for methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate is COC(=O)c1cccc2c(=O)c3cccnc3[nH]c12.
What is the InChIKey of methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate?
The InChIKey is ICQSYDYSIBIXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-14(18)9-5-2-4-8-11(9)16-13-10(12(8)17)6-3-7-15-13/h2-7H,1H3,(H,15,16,17).
What are the key properties of methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate?
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate is sourced from PubChem (CID 10244019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).