2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide

C22H16N4O — CID 6884203

IUPAC2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H16N4O/c27-22(26-24-15-17-10-6-7-13-23-17)19-14-21(16-8-2-1-3-9-16)25-20-12-5-4-11-18(19)20/h1-15H,(H,26,27)/b24-15+
InChIKeyXLOFTZPVFHISJO-BUVRLJJBSA-N
MW352.40 g/mol
LogP4.06
Rot. Bonds4

About 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide

2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6884203) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6884203
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H16N4O/c27-22(26-24-15-17-10-6-7-13-23-17)19-14-21(16-8-2-1-3-9-16)25-20-12-5-4-11-18(19)20/h1-15H,(H,26,27)/b24-15+
InChIKeyXLOFTZPVFHISJO-BUVRLJJBSA-N
XLogP4.06
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 25142799
CID 25142799
CID 104916
CID 104916
CID 9869033
CID 9869033
CID 6863419
CID 6863419
CID 135495642
CID 135495642
CID 5333835
CID 5333835
CID 2817968
CID 2817968
CID 9618012
CID 9618012
CID 797382
CID 797382
CID 1860395
CID 1860395
CID 688285
CID 688285
CID 128904
CID 128904

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (CID 6884203) is 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is XLOFTZPVFHISJO-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H16N4O/c27-22(26-24-15-17-10-6-7-13-23-17)19-14-21(16-8-2-1-3-9-16)25-20-12-5-4-11-18(19)20/h1-15H,(H,26,27)/b24-15+.
What are the key properties of 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6884203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).