N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C27H25N3O2 — CID 126049590

IUPACN-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C27H25N3O2/c1-2-3-17-32-22-15-13-20(14-16-22)19-28-30-27(31)24-18-26(21-9-5-4-6-10-21)29-25-12-8-7-11-23(24)25/h4-16,18-19H,2-3,17H2,1H3,(H,30,31)/b28-19+
InChIKeyZWAHEPAGOAJZEM-TURZUDJPSA-N
MW423.52 g/mol
LogP5.84
Rot. Bonds8

About N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126049590) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126049590
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C27H25N3O2/c1-2-3-17-32-22-15-13-20(14-16-22)19-28-30-27(31)24-18-26(21-9-5-4-6-10-21)29-25-12-8-7-11-23(24)25/h4-16,18-19H,2-3,17H2,1H3,(H,30,31)/b28-19+
InChIKeyZWAHEPAGOAJZEM-TURZUDJPSA-N
XLogP5.84
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
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-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6008188
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
2-(3-butoxyphenyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6873333
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126049590) is N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is ZWAHEPAGOAJZEM-TURZUDJPSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-2-3-17-32-22-15-13-20(14-16-22)19-28-30-27(31)24-18-26(21-9-5-4-6-10-21)29-25-12-8-7-11-23(24)25/h4-16,18-19H,2-3,17H2,1H3,(H,30,31)/b28-19+.
What are the key properties of N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126049590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).