methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate

C14H9ClN2O2 — CID 25252836

IUPACmethyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Cl)c1ccncc12
InChIInChI=1S/C14H9ClN2O2/c1-19-14(18)8-2-3-9-11-7-16-5-4-10(11)13(15)17-12(9)6-8/h2-7H,1H3
InChIKeyXCRKEOCRHSQXHV-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.22
Rot. Bonds1

About methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate

methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate (PubChem CID 25252836) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
PubChem CID25252836
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Namemethyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Cl)c1ccncc12
InChIInChI=1S/C14H9ClN2O2/c1-19-14(18)8-2-3-9-11-7-16-5-4-10(11)13(15)17-12(9)6-8/h2-7H,1H3
InChIKeyXCRKEOCRHSQXHV-UHFFFAOYSA-N
XLogP3.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate;methyl 5-(1-methylpyrazol-4-yl)benzo[c][2,6]naphthyridine-8-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158133955
2-amino-1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethanone;methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 161096043
methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
CID 171066233
methyl 2-chloro-4-methoxyquinazoline-7-carboxylate
CID 168967688
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
CID 118175984
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
CID 58553441

Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate?
The IUPAC name of methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate (CID 25252836) is methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate.
What is the SMILES notation for methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate?
The canonical SMILES for methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate is COC(=O)c1ccc2c(c1)nc(Cl)c1ccncc12.
What is the InChIKey of methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate?
The InChIKey is XCRKEOCRHSQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-19-14(18)8-2-3-9-11-7-16-5-4-10(11)13(15)17-12(9)6-8/h2-7H,1H3.
What are the key properties of methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate?
methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate is sourced from PubChem (CID 25252836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).