methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate

C20H13ClN2O2 — CID 57401422

IUPACmethyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C20H13ClN2O2/c1-25-20(24)13-4-7-15-17-11-22-9-8-16(17)19(23-18(15)10-13)12-2-5-14(21)6-3-12/h2-11H,1H3
InChIKeyGYHFZKPOSNXUSC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.89
Rot. Bonds2

About methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate

methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate (PubChem CID 57401422) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate
PubChem CID57401422
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Namemethyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C20H13ClN2O2/c1-25-20(24)13-4-7-15-17-11-22-9-8-16(17)19(23-18(15)10-13)12-2-5-14(21)6-3-12/h2-11H,1H3
InChIKeyGYHFZKPOSNXUSC-UHFFFAOYSA-N
XLogP4.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate (CID 57401422) is methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12.
What is the InChIKey of methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate?
The InChIKey is GYHFZKPOSNXUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c1-25-20(24)13-4-7-15-17-11-22-9-8-16(17)19(23-18(15)10-13)12-2-5-14(21)6-3-12/h2-11H,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate?
methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate has a molecular weight of 348.79 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate is sourced from PubChem (CID 57401422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).