N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide

C24H18FN3O — CID 4670747

IUPACN-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NN=Cc2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C24H18FN3O/c1-16-7-2-3-10-19(16)23-14-21(20-11-4-5-12-22(20)27-23)24(29)28-26-15-17-8-6-9-18(25)13-17/h2-15H,1H3,(H,28,29)
InChIKeyOOARDCHVGQTGQZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.11
Rot. Bonds4

About N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide

N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 4670747) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID4670747
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NN=Cc2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C24H18FN3O/c1-16-7-2-3-10-19(16)23-14-21(20-11-4-5-12-22(20)27-23)24(29)28-26-15-17-8-6-9-18(25)13-17/h2-15H,1H3,(H,28,29)
InChIKeyOOARDCHVGQTGQZ-UHFFFAOYSA-N
XLogP5.11
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.11
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'}

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Related Compounds

2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 43012024
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 6873636
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080
2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226438
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
2-(2-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5455023

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide (CID 4670747) is N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NN=Cc2cccc(F)c2)c2ccccc2n1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is OOARDCHVGQTGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-16-7-2-3-10-19(16)23-14-21(20-11-4-5-12-22(20)27-23)24(29)28-26-15-17-8-6-9-18(25)13-17/h2-15H,1H3,(H,28,29).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide?
N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4670747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).