N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

C32H28N4O3 — CID 5146403

IUPACN-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C32H28N4O3/c1-20(2)22-10-12-24(13-11-22)29-19-27(26-7-4-5-8-28(26)34-29)31(37)36-35-21(3)23-14-16-25(17-15-23)33-32(38)30-9-6-18-39-30/h4-20H,1-3H3,(H,33,38)(H,36,37)
InChIKeyXIQYJHHQFZNGGD-UHFFFAOYSA-N
MW516.60 g/mol
LogP7.02
Rot. Bonds7

About N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 5146403) has the molecular formula C32H28N4O3 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID5146403
Molecular FormulaC32H28N4O3
Molecular Weight516.60 g/mol
Exact Mass516.22
IUPAC NameN-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C32H28N4O3/c1-20(2)22-10-12-24(13-11-22)29-19-27(26-7-4-5-8-28(26)34-29)31(37)36-35-21(3)23-14-16-25(17-15-23)33-32(38)30-9-6-18-39-30/h4-20H,1-3H3,(H,33,38)(H,36,37)
InChIKeyXIQYJHHQFZNGGD-UHFFFAOYSA-N
XLogP7.02
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 5198522
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 4073542
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
N-[1-(furan-2-yl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4687807
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-[1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5045590
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide (CID 5146403) is N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is XIQYJHHQFZNGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O3/c1-20(2)22-10-12-24(13-11-22)29-19-27(26-7-4-5-8-28(26)34-29)31(37)36-35-21(3)23-14-16-25(17-15-23)33-32(38)30-9-6-18-39-30/h4-20H,1-3H3,(H,33,38)(H,36,37).
What are the key properties of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 7.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5146403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).