N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide

C21H20ClN3O — CID 6534705

IUPACN-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C(/CCCCl)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H20ClN3O/c1-15-14-18(17-10-5-6-11-20(17)23-15)21(26)25-24-19(12-7-13-22)16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3,(H,25,26)/b24-19-
InChIKeyWMEIUBAHDHQIJW-CLCOLTQESA-N
MW365.86 g/mol
LogP4.70
Rot. Bonds6

About N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide

N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide (PubChem CID 6534705) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
PubChem CID6534705
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C(/CCCCl)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H20ClN3O/c1-15-14-18(17-10-5-6-11-20(17)23-15)21(26)25-24-19(12-7-13-22)16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3,(H,25,26)/b24-19-
InChIKeyWMEIUBAHDHQIJW-CLCOLTQESA-N
XLogP4.70
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[1-(5-chlorothiophen-2-yl)propylideneamino]-2-methylquinoline-4-carboxamide
CID 1004672
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
CID 6142695
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
CID 5027702
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide (CID 6534705) is N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N/N=C(/CCCCl)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide?
The InChIKey is WMEIUBAHDHQIJW-CLCOLTQESA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15-14-18(17-10-5-6-11-20(17)23-15)21(26)25-24-19(12-7-13-22)16-8-3-2-4-9-16/h2-6,8-11,14H,7,12-13H2,1H3,(H,25,26)/b24-19-.
What are the key properties of N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide?
N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 6534705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).