N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide

C24H21N3O2 — CID 1226426

IUPACN-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)NN=Cc3ccoc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2/c1-2-5-17-8-10-19(11-9-17)23-14-21(20-6-3-4-7-22(20)26-23)24(28)27-25-15-18-12-13-29-16-18/h3-4,6-16H,2,5H2,1H3,(H,27,28)
InChIKeyKTQQIGCZBDLFAG-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.21
Rot. Bonds6

About N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide

N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide (PubChem CID 1226426) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
PubChem CID1226426
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)NN=Cc3ccoc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2/c1-2-5-17-8-10-19(11-9-17)23-14-21(20-6-3-4-7-22(20)26-23)24(28)27-25-15-18-12-13-29-16-18/h3-4,6-16H,2,5H2,1H3,(H,27,28)
InChIKeyKTQQIGCZBDLFAG-UHFFFAOYSA-N
XLogP5.21
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)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-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020
2-[4-[(2S)-butan-2-yl]phenyl]-N-[(Z)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5454997
2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6875010
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 17285270
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide (CID 1226426) is N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)NN=Cc3ccoc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide?
The InChIKey is KTQQIGCZBDLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-5-17-8-10-19(11-9-17)23-14-21(20-6-3-4-7-22(20)26-23)24(28)27-25-15-18-12-13-29-16-18/h3-4,6-16H,2,5H2,1H3,(H,27,28).
What are the key properties of N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide?
N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1226426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).