5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine

C18H12Cl2N4 — CID 142158083

IUPAC5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine
SMILESClc1ccc2nc(N/N=C/c3c[nH]c4ccccc34)ccc2c1Cl
InChIInChI=1S/C18H12Cl2N4/c19-14-6-7-16-13(18(14)20)5-8-17(23-16)24-22-10-11-9-21-15-4-2-1-3-12(11)15/h1-10,21H,(H,23,24)/b22-10+
InChIKeyKGHFYQOCBFSQDE-LSHDLFTRSA-N
MW355.23 g/mol
LogP5.47
Rot. Bonds3

About 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine

5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine (PubChem CID 142158083) has the molecular formula C18H12Cl2N4 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine
PubChem CID142158083
Molecular FormulaC18H12Cl2N4
Molecular Weight355.23 g/mol
Exact Mass354.04
IUPAC Name5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine
SMILESClc1ccc2nc(N/N=C/c3c[nH]c4ccccc34)ccc2c1Cl
InChIInChI=1S/C18H12Cl2N4/c19-14-6-7-16-13(18(14)20)5-8-17(23-16)24-22-10-11-9-21-15-4-2-1-3-12(11)15/h1-10,21H,(H,23,24)/b22-10+
InChIKeyKGHFYQOCBFSQDE-LSHDLFTRSA-N
XLogP5.47
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.23
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine?
The IUPAC name of 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine (CID 142158083) is 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine.
What is the SMILES notation for 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine?
The canonical SMILES for 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine is Clc1ccc2nc(N/N=C/c3c[nH]c4ccccc34)ccc2c1Cl.
What is the InChIKey of 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine?
The InChIKey is KGHFYQOCBFSQDE-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H12Cl2N4/c19-14-6-7-16-13(18(14)20)5-8-17(23-16)24-22-10-11-9-21-15-4-2-1-3-12(11)15/h1-10,21H,(H,23,24)/b22-10+.
What are the key properties of 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine?
5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine has a molecular weight of 355.23 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine is sourced from PubChem (CID 142158083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).