2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide

C24H24ClN5O — CID 11510327

IUPAC2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide
SMILESCC(C)(C)C(/N=C(\NC#N)c1cccc2ncccc12)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O/c1-24(2,3)23(29-21(31)14-16-9-11-17(25)12-10-16)30-22(28-15-26)19-6-4-8-20-18(19)7-5-13-27-20/h4-13,23H,14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZOEPQZKRTOOSEB-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide

2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide (PubChem CID 11510327) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide
PubChem CID11510327
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide
SMILESCC(C)(C)C(/N=C(\NC#N)c1cccc2ncccc12)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O/c1-24(2,3)23(29-21(31)14-16-9-11-17(25)12-10-16)30-22(28-15-26)19-6-4-8-20-18(19)7-5-13-27-20/h4-13,23H,14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZOEPQZKRTOOSEB-UHFFFAOYSA-N
XLogP4.44
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(4-methylsulfanylphenyl)acetamide
CID 11351651
2-(4-chlorophenyl)-N-[1-[[(cyanoamino)-(isoquinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 72773077
2-(4-chlorophenyl)-N-[1-[(E)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 23232552
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(4-fluorophenyl)acetamide
CID 11269479
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
N-[1-[(Z)-[[(2-bromo-3-pyridinyl)amino]-(cyanoamino)methylidene]amino]-2,2-dimethylpropyl]-4-chlorobenzamide
CID 87796849
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide (CID 11510327) is 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide is CC(C)(C)C(/N=C(\NC#N)c1cccc2ncccc12)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide?
The InChIKey is ZOEPQZKRTOOSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-24(2,3)23(29-21(31)14-16-9-11-17(25)12-10-16)30-22(28-15-26)19-6-4-8-20-18(19)7-5-13-27-20/h4-13,23H,14H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide?
2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide has a molecular weight of 433.94 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-quinolin-5-ylmethylidene]amino]-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 11510327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).