N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide

C20H18ClN3O — CID 7933434

IUPACN-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESCC/C(C)=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C20H18ClN3O/c1-3-13(2)23-24-20(25)16-12-19(15-9-4-6-10-17(15)21)22-18-11-7-5-8-14(16)18/h4-12H,3H2,1-2H3,(H,24,25)/b23-13-
InChIKeyZSWGKODHNTWTDJ-QRVIBDJDSA-N
MW351.84 g/mol
LogP5.07
Rot. Bonds4

About N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide

N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide (PubChem CID 7933434) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
PubChem CID7933434
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESCC/C(C)=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C20H18ClN3O/c1-3-13(2)23-24-20(25)16-12-19(15-9-4-6-10-17(15)21)22-18-11-7-5-8-14(16)18/h4-12H,3H2,1-2H3,(H,24,25)/b23-13-
InChIKeyZSWGKODHNTWTDJ-QRVIBDJDSA-N
XLogP5.07
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078554
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
CID 4500720
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-(2-chlorophenyl)-N'-(furan-3-carbonyl)quinoline-4-carbohydrazide
CID 27020677
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide (CID 7933434) is N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide is CC/C(C)=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is ZSWGKODHNTWTDJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-3-13(2)23-24-20(25)16-12-19(15-9-4-6-10-17(15)21)22-18-11-7-5-8-14(16)18/h4-12H,3H2,1-2H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 7933434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).