3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

C19H13ClN4O2 — CID 58485097

IUPAC3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNc1cc2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2cn1
InChIInChI=1S/C19H13ClN4O2/c20-11-2-1-3-12(7-11)23-18-14-8-17(21)22-9-15(14)13-5-4-10(19(25)26)6-16(13)24-18/h1-9H,(H2,21,22)(H,23,24)(H,25,26)
InChIKeyPCNHIHDEJGRLDW-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.46
Rot. Bonds3

About 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 58485097) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID58485097
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNc1cc2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2cn1
InChIInChI=1S/C19H13ClN4O2/c20-11-2-1-3-12(7-11)23-18-14-8-17(21)22-9-15(14)13-5-4-10(19(25)26)6-16(13)24-18/h1-9H,(H2,21,22)(H,23,24)(H,25,26)
InChIKeyPCNHIHDEJGRLDW-UHFFFAOYSA-N
XLogP4.46
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 53241016
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
CID 149488151
4-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]-4-oxobutanoic acid
CID 160845537
4-(3-chloroanilino)-3-methyl-[1,2]thiazolo[4,5-c]quinoline-7-carboxylic acid
CID 168967659
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
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
5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
CID 164616625
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514
5-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584
5-(4-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid;2,2,2-trifluoroacetic acid
CID 50942445
5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 136602231
3-(cyclopropylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 69264255

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 58485097) is 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is Nc1cc2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2cn1.
What is the InChIKey of 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is PCNHIHDEJGRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-11-2-1-3-12(7-11)23-18-14-8-17(21)22-9-15(14)13-5-4-10(19(25)26)6-16(13)24-18/h1-9H,(H2,21,22)(H,23,24)(H,25,26).
What are the key properties of 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 364.79 g/mol, XLogP of 4.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 58485097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).