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

C30H24N4O4 — CID 4073542

IUPACN-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2n1
InChIInChI=1S/C30H24N4O4/c1-19(20-13-15-21(16-14-20)31-30(36)28-12-7-17-38-28)33-34-29(35)24-18-26(23-9-4-6-11-27(23)37-2)32-25-10-5-3-8-22(24)25/h3-18H,1-2H3,(H,31,36)(H,34,35)
InChIKeyRLSRXJIDGBLLRY-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.91
Rot. Bonds7

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

N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4073542) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4073542
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC NameN-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2n1
InChIInChI=1S/C30H24N4O4/c1-19(20-13-15-21(16-14-20)31-30(36)28-12-7-17-38-28)33-34-29(35)24-18-26(23-9-4-6-11-27(23)37-2)32-25-10-5-3-8-22(24)25/h3-18H,1-2H3,(H,31,36)(H,34,35)
InChIKeyRLSRXJIDGBLLRY-UHFFFAOYSA-N
XLogP5.91
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 5146403
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6162942
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 5455046
N-[(E)-1-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]ethylideneamino]-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 17087433
N-[1-(furan-2-yl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4687807
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 26871461
N-[4-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6187407
N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6387299
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 4073542) is N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RLSRXJIDGBLLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4/c1-19(20-13-15-21(16-14-20)31-30(36)28-12-7-17-38-28)33-34-29(35)24-18-26(23-9-4-6-11-27(23)37-2)32-25-10-5-3-8-22(24)25/h3-18H,1-2H3,(H,31,36)(H,34,35).
What are the key properties of N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4073542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).