N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine

C20H12ClN5O — CID 57393820

IUPACN-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESClc1cccc(Nc2nc3c(-c4nnco4)cccc3c3cnccc23)c1
InChIInChI=1S/C20H12ClN5O/c21-12-3-1-4-13(9-12)24-19-15-7-8-22-10-17(15)14-5-2-6-16(18(14)25-19)20-26-23-11-27-20/h1-11H,(H,24,25)
InChIKeyRATNMNKEUJOIEP-UHFFFAOYSA-N
MW373.80 g/mol
LogP5.23
Rot. Bonds3

About N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine

N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 57393820) has the molecular formula C20H12ClN5O and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID57393820
Molecular FormulaC20H12ClN5O
Molecular Weight373.80 g/mol
Exact Mass373.07
IUPAC NameN-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESClc1cccc(Nc2nc3c(-c4nnco4)cccc3c3cnccc23)c1
InChIInChI=1S/C20H12ClN5O/c21-12-3-1-4-13(9-12)24-19-15-7-8-22-10-17(15)14-5-2-6-16(18(14)25-19)20-26-23-11-27-20/h1-11H,(H,24,25)
InChIKeyRATNMNKEUJOIEP-UHFFFAOYSA-N
XLogP5.23
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.80
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine (CID 57393820) is N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine is Clc1cccc(Nc2nc3c(-c4nnco4)cccc3c3cnccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is RATNMNKEUJOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5O/c21-12-3-1-4-13(9-12)24-19-15-7-8-22-10-17(15)14-5-2-6-16(18(14)25-19)20-26-23-11-27-20/h1-11H,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine?
N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 373.80 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-7-(1,3,4-oxadiazol-2-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 57393820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).