2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide

C20H15Cl2N3O — CID 45108999

IUPAC2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H15Cl2N3O/c21-14-7-12(8-15(22)9-14)11-23-25-20(26)17-10-19(13-5-6-13)24-18-4-2-1-3-16(17)18/h1-4,7-11,13H,5-6H2,(H,25,26)/b23-11+
InChIKeyVHGKGRDTRCGVOG-FOKLQQMPSA-N
MW384.27 g/mol
LogP5.18
Rot. Bonds4

About 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 45108999) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID45108999
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H15Cl2N3O/c21-14-7-12(8-15(22)9-14)11-23-25-20(26)17-10-19(13-5-6-13)24-18-4-2-1-3-16(17)18/h1-4,7-11,13H,5-6H2,(H,25,26)/b23-11+
InChIKeyVHGKGRDTRCGVOG-FOKLQQMPSA-N
XLogP5.18
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.18
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'}

Analyze 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide 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-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6875010
2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6884339
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 1388519
2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135549800
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide (CID 45108999) is 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1cc(Cl)cc(Cl)c1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is VHGKGRDTRCGVOG-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-14-7-12(8-15(22)9-14)11-23-25-20(26)17-10-19(13-5-6-13)24-18-4-2-1-3-16(17)18/h1-4,7-11,13H,5-6H2,(H,25,26)/b23-11+.
What are the key properties of 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 45108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).