2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide

C25H22N4O — CID 5455020

IUPAC2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)N/N=C\c3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O/c1-2-5-18-8-10-20(11-9-18)24-16-22(21-6-3-4-7-23(21)28-24)25(30)29-27-17-19-12-14-26-15-13-19/h3-4,6-17H,2,5H2,1H3,(H,29,30)/b27-17-
InChIKeyBFPJGRIMHGELMO-PKAZHMFMSA-N
MW394.48 g/mol
LogP5.01
Rot. Bonds6

About 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide

2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 5455020) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID5455020
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)N/N=C\c3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N4O/c1-2-5-18-8-10-20(11-9-18)24-16-22(21-6-3-4-7-23(21)28-24)25(30)29-27-17-19-12-14-26-15-13-19/h3-4,6-17H,2,5H2,1H3,(H,29,30)/b27-17-
InChIKeyBFPJGRIMHGELMO-PKAZHMFMSA-N
XLogP5.01
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.01
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

N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1226426
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
2-pyridin-1-ium-4-yl-N-(pyridin-4-ylmethylideneamino)quinoline-4-carboxamide
CID 135505088
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 3485372

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide (CID 5455020) is 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)N/N=C\c3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is BFPJGRIMHGELMO-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H22N4O/c1-2-5-18-8-10-20(11-9-18)24-16-22(21-6-3-4-7-23(21)28-24)25(30)29-27-17-19-12-14-26-15-13-19/h3-4,6-17H,2,5H2,1H3,(H,29,30)/b27-17-.
What are the key properties of 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 5455020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).