methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate

C20H14ClN3O2 — CID 57395611

IUPACmethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H14ClN3O2/c1-26-20(25)16-7-3-6-14-17-11-22-9-8-15(17)19(24-18(14)16)23-13-5-2-4-12(21)10-13/h2-11H,1H3,(H,23,24)
InChIKeyHHCMPCGFJHHCBQ-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.97
Rot. Bonds3

About methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate

methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate (PubChem CID 57395611) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate
PubChem CID57395611
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Namemethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H14ClN3O2/c1-26-20(25)16-7-3-6-14-17-11-22-9-8-15(17)19(24-18(14)16)23-13-5-2-4-12(21)10-13/h2-11H,1H3,(H,23,24)
InChIKeyHHCMPCGFJHHCBQ-UHFFFAOYSA-N
XLogP4.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate?
The IUPAC name of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate (CID 57395611) is methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate?
The canonical SMILES for methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate is COC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate?
The InChIKey is HHCMPCGFJHHCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-26-20(25)16-7-3-6-14-17-11-22-9-8-15(17)19(24-18(14)16)23-13-5-2-4-12(21)10-13/h2-11H,1H3,(H,23,24).
What are the key properties of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate?
methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate has a molecular weight of 363.80 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate is sourced from PubChem (CID 57395611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).