N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide

C24H27N3O3 — CID 1226483

IUPACN-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
SMILESCCCc1cc(C(=O)NN=Cc2ccc(OCC)cc2OCC)c2ccccc2n1
InChIInChI=1S/C24H27N3O3/c1-4-9-18-14-21(20-10-7-8-11-22(20)26-18)24(28)27-25-16-17-12-13-19(29-5-2)15-23(17)30-6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,27,28)
InChIKeyBLAVSKJSSAEVAD-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.75
Rot. Bonds9

About N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide

N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide (PubChem CID 1226483) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
PubChem CID1226483
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
SMILESCCCc1cc(C(=O)NN=Cc2ccc(OCC)cc2OCC)c2ccccc2n1
InChIInChI=1S/C24H27N3O3/c1-4-9-18-14-21(20-10-7-8-11-22(20)26-18)24(28)27-25-16-17-12-13-19(29-5-2)15-23(17)30-6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,27,28)
InChIKeyBLAVSKJSSAEVAD-UHFFFAOYSA-N
XLogP4.75
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-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

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide?
The IUPAC name of N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide (CID 1226483) is N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide?
The canonical SMILES for N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide is CCCc1cc(C(=O)NN=Cc2ccc(OCC)cc2OCC)c2ccccc2n1.
What is the InChIKey of N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide?
The InChIKey is BLAVSKJSSAEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-9-18-14-21(20-10-7-8-11-22(20)26-18)24(28)27-25-16-17-12-13-19(29-5-2)15-23(17)30-6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,27,28).
What are the key properties of N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide?
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide is sourced from PubChem (CID 1226483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).