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

C26H24N4O2 — CID 6873482

IUPAC2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
SMILESCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N4O2/c1-2-3-16-32-21-10-8-20(9-11-21)25-17-23(22-6-4-5-7-24(22)29-25)26(31)30-28-18-19-12-14-27-15-13-19/h4-15,17-18H,2-3,16H2,1H3,(H,30,31)/b28-18+
InChIKeyLNDXQOJZYPLBBZ-MTDXEUNCSA-N
MW424.50 g/mol
LogP5.24
Rot. Bonds8

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

2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6873482) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6873482
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
SMILESCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N4O2/c1-2-3-16-32-21-10-8-20(9-11-21)25-17-23(22-6-4-5-7-24(22)29-25)26(31)30-28-18-19-12-14-27-15-13-19/h4-15,17-18H,2-3,16H2,1H3,(H,30,31)/b28-18+
InChIKeyLNDXQOJZYPLBBZ-MTDXEUNCSA-N
XLogP5.24
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-pyridin-1-ium-4-yl-N-(pyridin-4-ylmethylideneamino)quinoline-4-carboxamide
CID 135505088
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide (CID 6873482) is 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide is CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is LNDXQOJZYPLBBZ-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-2-3-16-32-21-10-8-20(9-11-21)25-17-23(22-6-4-5-7-24(22)29-25)26(31)30-28-18-19-12-14-27-15-13-19/h4-15,17-18H,2-3,16H2,1H3,(H,30,31)/b28-18+.
What are the key properties of 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide?
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6873482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).