2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide

C22H15ClN4O — CID 1012448

IUPAC2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28)
InChIKeyVSKQBNLMLOXVED-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.71
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide (PubChem CID 1012448) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
PubChem CID1012448
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28)
InChIKeyVSKQBNLMLOXVED-UHFFFAOYSA-N
XLogP4.71
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.71
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

2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
2-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
2-(2,4-dimethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6875005
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3961948
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide (CID 1012448) is 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide is O=C(NN=Cc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide?
The InChIKey is VSKQBNLMLOXVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 1012448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).