N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide

C21H15ClN4O3 — CID 4767224

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C21H15ClN4O3/c22-15-5-3-4-14(10-15)19-9-8-16(29-19)11-24-25-20(27)12-26-13-23-18-7-2-1-6-17(18)21(26)28/h1-11,13H,12H2,(H,25,27)
InChIKeyCNOJFBGPDRWOQA-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.46
Rot. Bonds5

About N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide

N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 4767224) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID4767224
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C21H15ClN4O3/c22-15-5-3-4-14(10-15)19-9-8-16(29-19)11-24-25-20(27)12-26-13-23-18-7-2-1-6-17(18)21(26)28/h1-11,13H,12H2,(H,25,27)
InChIKeyCNOJFBGPDRWOQA-UHFFFAOYSA-N
XLogP3.46
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
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

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 6209329
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864192
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 3535035
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
2-(4-tert-butylphenyl)-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 6007197
2-(4-tert-butylphenyl)-N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 4089934

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide (CID 4767224) is N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is CNOJFBGPDRWOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c22-15-5-3-4-14(10-15)19-9-8-16(29-19)11-24-25-20(27)12-26-13-23-18-7-2-1-6-17(18)21(26)28/h1-11,13H,12H2,(H,25,27).
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 406.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4767224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).