2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide

C23H19N3O2 — CID 1020765

IUPAC2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NN=Cc3ccc(-c4ccccc4)o3)cc2c1
InChIInChI=1S/C23H19N3O2/c1-15-8-10-21-18(12-15)13-20(16(2)25-21)23(27)26-24-14-19-9-11-22(28-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27)
InChIKeyMGQOSXKWSIXLCQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.88
Rot. Bonds4

About 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide

2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide (PubChem CID 1020765) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide
PubChem CID1020765
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NN=Cc3ccc(-c4ccccc4)o3)cc2c1
InChIInChI=1S/C23H19N3O2/c1-15-8-10-21-18(12-15)13-20(16(2)25-21)23(27)26-24-14-19-9-11-22(28-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27)
InChIKeyMGQOSXKWSIXLCQ-UHFFFAOYSA-N
XLogP4.88
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.88
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'}

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Related Compounds

N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 6873636
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinoline-3-carboxamide
CID 5455436
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(Z)-[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045050
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
3-methyl-4-[5-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126040726
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 4046043
N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048923
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6087182

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide (CID 1020765) is 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NN=Cc3ccc(-c4ccccc4)o3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide?
The InChIKey is MGQOSXKWSIXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-8-10-21-18(12-15)13-20(16(2)25-21)23(27)26-24-14-19-9-11-22(28-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27).
What are the key properties of 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide?
2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide is sourced from PubChem (CID 1020765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).