5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide

C20H15ClN6 — CID 143858117

IUPAC5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H15ClN6/c21-12-3-1-4-13(9-12)26-20-15-7-8-24-10-17(15)14-5-2-6-16(18(14)27-20)19(23)25-11-22/h1-11H,(H,26,27)(H3,22,23,25)
InChIKeyLVEJHLNUAPRHMT-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.49
Rot. Bonds4

About 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide

5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide (PubChem CID 143858117) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide
PubChem CID143858117
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H15ClN6/c21-12-3-1-4-13(9-12)26-20-15-7-8-24-10-17(15)14-5-2-6-16(18(14)27-20)19(23)25-11-22/h1-11H,(H,26,27)(H3,22,23,25)
InChIKeyLVEJHLNUAPRHMT-UHFFFAOYSA-N
XLogP4.49
TPSA100.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine
CID 89148355
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
CID 149488151
azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 53241016
4-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]-4-oxobutanoic acid
CID 160845537
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
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
CID 164616625
5-(4-chloro-3-fluoroanilino)-N'-diazenylbenzo[c][2,6]naphthyridine-8-carboximidamide
CID 137124950
5-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584
3-chloro-N-(3-chlorophenyl)isoquinolin-1-amine
CID 57429047
4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740048
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide?
The IUPAC name of 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide (CID 143858117) is 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide.
What is the SMILES notation for 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide?
The canonical SMILES for 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide is [H]/N=C/N=C(\N)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide?
The InChIKey is LVEJHLNUAPRHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6/c21-12-3-1-4-13(9-12)26-20-15-7-8-24-10-17(15)14-5-2-6-16(18(14)27-20)19(23)25-11-22/h1-11H,(H,26,27)(H3,22,23,25).
What are the key properties of 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide?
5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide has a molecular weight of 374.84 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide is sourced from PubChem (CID 143858117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).