N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide

C22H17N5 — CID 70565363

IUPACN'-anilino-N-quinolin-2-yliminobenzenecarboximidamide
SMILESc1ccc(NN=C(/N=N/c2ccc3ccccc3n2)c2ccccc2)cc1
InChIInChI=1S/C22H17N5/c1-3-10-18(11-4-1)22(26-24-19-12-5-2-6-13-19)27-25-21-16-15-17-9-7-8-14-20(17)23-21/h1-16,24H/b26-22?,27-25+
InChIKeyRKESFZJVNHAPPL-FGHSJBILSA-N
MW351.41 g/mol
LogP5.79
Rot. Bonds4

About N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide

N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide (PubChem CID 70565363) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-quinolin-2-yliminobenzenecarboximidamide
PubChem CID70565363
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC NameN'-anilino-N-quinolin-2-yliminobenzenecarboximidamide
SMILESc1ccc(NN=C(/N=N/c2ccc3ccccc3n2)c2ccccc2)cc1
InChIInChI=1S/C22H17N5/c1-3-10-18(11-4-1)22(26-24-19-12-5-2-6-13-19)27-25-21-16-15-17-9-7-8-14-20(17)23-21/h1-16,24H/b26-22?,27-25+
InChIKeyRKESFZJVNHAPPL-FGHSJBILSA-N
XLogP5.79
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide?
The IUPAC name of N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide (CID 70565363) is N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide is c1ccc(NN=C(/N=N/c2ccc3ccccc3n2)c2ccccc2)cc1.
What is the InChIKey of N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide?
The InChIKey is RKESFZJVNHAPPL-FGHSJBILSA-N. The full InChI is InChI=1S/C22H17N5/c1-3-10-18(11-4-1)22(26-24-19-12-5-2-6-13-19)27-25-21-16-15-17-9-7-8-14-20(17)23-21/h1-16,24H/b26-22?,27-25+.
What are the key properties of N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide?
N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide has a molecular weight of 351.41 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-quinolin-2-yliminobenzenecarboximidamide is sourced from PubChem (CID 70565363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).