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

C34H23Cl2N5O4 — CID 159821976

IUPACmethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Cl)c1ccncc12.COC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H14ClN3O2.C14H9ClN2O2/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;1-19-14(18)10-4-2-3-8-11-7-16-6-5-9(11)13(15)17-12(8)10/h2-11H,1H3,(H,23,24);2-7H,1H3
InChIKeyNMIWQQGRTZWCJJ-UHFFFAOYSA-N
MW636.50 g/mol
LogP8.19
Rot. Bonds4

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

methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate (PubChem CID 159821976) has the molecular formula C34H23Cl2N5O4 and a molecular weight of 636.50 g/mol. Its IUPAC name is methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate
PubChem CID159821976
Molecular FormulaC34H23Cl2N5O4
Molecular Weight636.50 g/mol
Exact Mass635.11
IUPAC Namemethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Cl)c1ccncc12.COC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H14ClN3O2.C14H9ClN2O2/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;1-19-14(18)10-4-2-3-8-11-7-16-6-5-9(11)13(15)17-12(8)10/h2-11H,1H3,(H,23,24);2-7H,1H3
InChIKeyNMIWQQGRTZWCJJ-UHFFFAOYSA-N
XLogP8.19
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.50
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Related Compounds

Silmitasertib
CID 24748573
2,2-Difluoroethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861578
2-Iodoethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861582
2-Hydroxyethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861586
2-Fluoroethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861591
5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxylic acid
CID 50941395
5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-9-carboxylic acid
CID 50941397
N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57393820
Methyl 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxylate
CID 57395611
2-[2-(2-Hydroxyethoxy)ethoxy]ethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861583
3,3-Dichloropropyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861585
5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 72200252

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate?
The IUPAC name of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate (CID 159821976) is methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate?
The canonical SMILES for methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate is COC(=O)c1cccc2c1nc(Cl)c1ccncc12.COC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate?
The InChIKey is NMIWQQGRTZWCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2.C14H9ClN2O2/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;1-19-14(18)10-4-2-3-8-11-7-16-6-5-9(11)13(15)17-12(8)10/h2-11H,1H3,(H,23,24);2-7H,1H3.
What are the key properties of methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate?
methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate has a molecular weight of 636.50 g/mol, XLogP of 8.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylate;methyl 5-chlorobenzo[c][2,6]naphthyridine-7-carboxylate is sourced from PubChem (CID 159821976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).