N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide

C18H13F2N3O — CID 43012024

IUPACN-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C18H13F2N3O/c1-11-8-14(13-4-2-3-5-17(13)22-11)18(24)23-21-10-12-6-7-15(19)16(20)9-12/h2-10H,1H3,(H,23,24)/b21-10+
InChIKeyBHYIHNBPOMYHFB-UFFVCSGVSA-N
MW325.32 g/mol
LogP3.59
Rot. Bonds3

About N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide

N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 43012024) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID43012024
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C18H13F2N3O/c1-11-8-14(13-4-2-3-5-17(13)22-11)18(24)23-21-10-12-6-7-15(19)16(20)9-12/h2-10H,1H3,(H,23,24)/b21-10+
InChIKeyBHYIHNBPOMYHFB-UFFVCSGVSA-N
XLogP3.59
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.59
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

N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4670747
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135957404
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide (CID 43012024) is N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)c2ccccc2n1.
What is the InChIKey of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is BHYIHNBPOMYHFB-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H13F2N3O/c1-11-8-14(13-4-2-3-5-17(13)22-11)18(24)23-21-10-12-6-7-15(19)16(20)9-12/h2-10H,1H3,(H,23,24)/b21-10+.
What are the key properties of N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 43012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).