methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate

C14H10N2O3 — CID 118009874

IUPACmethyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C1C=CN=CC=21
InChIInChI=1S/C14H10N2O3/c1-19-14(18)8-2-3-9-11-7-15-5-4-10(11)13(17)16-12(9)6-8/h2-7,10H,1H3
InChIKeyGQHOXGAECMTLHM-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.00
Rot. Bonds1

About methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate

methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate (PubChem CID 118009874) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate
PubChem CID118009874
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C1C=CN=CC=21
InChIInChI=1S/C14H10N2O3/c1-19-14(18)8-2-3-9-11-7-15-5-4-10(11)13(17)16-12(9)6-8/h2-7,10H,1H3
InChIKeyGQHOXGAECMTLHM-UHFFFAOYSA-N
XLogP-0.00
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate?
The IUPAC name of methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate (CID 118009874) is methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate.
What is the SMILES notation for methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate?
The canonical SMILES for methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate is COC(=O)c1ccc2c(c1)=NC(=O)C1C=CN=CC=21.
What is the InChIKey of methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate?
The InChIKey is GQHOXGAECMTLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-14(18)8-2-3-9-11-7-15-5-4-10(11)13(17)16-12(9)6-8/h2-7,10H,1H3.
What are the key properties of methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate?
methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate has a molecular weight of 254.25 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylate is sourced from PubChem (CID 118009874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).