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

C24H25ClN6O — CID 11270845

IUPAC2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
SMILESCC(C)(C)C(/N=C(\NC#N)Nc1cccc2ncccc12)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN6O/c1-24(2,3)22(30-21(32)14-16-9-11-17(25)12-10-16)31-23(28-15-26)29-20-8-4-7-19-18(20)6-5-13-27-19/h4-13,22H,14H2,1-3H3,(H,30,32)(H2,28,29,31)
InChIKeyDDFOXXYEMGDDKE-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.46
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide (PubChem CID 11270845) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
PubChem CID11270845
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
SMILESCC(C)(C)C(/N=C(\NC#N)Nc1cccc2ncccc12)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN6O/c1-24(2,3)22(30-21(32)14-16-9-11-17(25)12-10-16)31-23(28-15-26)29-20-8-4-7-19-18(20)6-5-13-27-19/h4-13,22H,14H2,1-3H3,(H,30,32)(H2,28,29,31)
InChIKeyDDFOXXYEMGDDKE-UHFFFAOYSA-N
XLogP4.46
TPSA102.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.46
H-Bond Donors ≤ 53
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'}

Analyze 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-quinolin-5-ylbenzamide
CID 952436
2-(2-chloro-6-fluorophenyl)-N-quinolin-5-ylacetamide
CID 2110403
4-Chloro-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 9953676
N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-4-pyridin-3-ylbutanamide
CID 11212938
Benzeneacetamide,4-chloro-N-[1-[[(cyanoamino)[(2-methyl-3-pyridinyl)imino]methyl]amino]-2,2-dimethylpropyl]-
CID 11223687
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 11246455
N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(4-cyanophenyl)acetamide
CID 11351142
N-[1-[[(Cyanoamino)(5-quinolinylimino)methyl]amino]-2,2-dimethylpropyl]-4-(methylthio)benzeneacetamide
CID 11351651
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide
CID 22641699
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide
CID 24828280
N-(7-Chloro-4-quinolyl)-N'-(3-diethylaminopropanoyl)-1,4-diaminobutane
CID 24828281
N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide
CID 24828282

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide (CID 11270845) is 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide is CC(C)(C)C(/N=C(\NC#N)Nc1cccc2ncccc12)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide?
The InChIKey is DDFOXXYEMGDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-24(2,3)22(30-21(32)14-16-9-11-17(25)12-10-16)31-23(28-15-26)29-20-8-4-7-19-18(20)6-5-13-27-19/h4-13,22H,14H2,1-3H3,(H,30,32)(H2,28,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide?
2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide has a molecular weight of 448.96 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 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-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 11270845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).