2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide

C21H20ClN3O — CID 16553720

IUPAC2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
SMILESCCC(CC)=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H20ClN3O/c1-3-14(4-2)24-25-21(26)17-13-20(16-10-5-7-11-18(16)22)23-19-12-8-6-9-15(17)19/h5-13H,3-4H2,1-2H3,(H,25,26)
InChIKeyBEQSTJBLNUTCOZ-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.46
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide

2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide (PubChem CID 16553720) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
PubChem CID16553720
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
SMILESCCC(CC)=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H20ClN3O/c1-3-14(4-2)24-25-21(26)17-13-20(16-10-5-7-11-18(16)22)23-19-12-8-6-9-15(17)19/h5-13H,3-4H2,1-2H3,(H,25,26)
InChIKeyBEQSTJBLNUTCOZ-UHFFFAOYSA-N
XLogP5.46
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.46
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

N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
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
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
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
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide (CID 16553720) is 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide is CCC(CC)=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide?
The InChIKey is BEQSTJBLNUTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-3-14(4-2)24-25-21(26)17-13-20(16-10-5-7-11-18(16)22)23-19-12-8-6-9-15(17)19/h5-13H,3-4H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 16553720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).