N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide

C20H17F2N3O2 — CID 6142695

IUPACN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)nc2ccccc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H17F2N3O2/c1-12-11-17(16-5-3-4-6-18(16)23-12)19(26)25-24-13(2)14-7-9-15(10-8-14)27-20(21)22/h3-11,20H,1-2H3,(H,25,26)/b24-13-
InChIKeyLDFLFYQNYUTJEL-CFRMEGHHSA-N
MW369.37 g/mol
LogP4.30
Rot. Bonds5

About N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 6142695) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID6142695
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)nc2ccccc12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H17F2N3O2/c1-12-11-17(16-5-3-4-6-18(16)23-12)19(26)25-24-13(2)14-7-9-15(10-8-14)27-20(21)22/h3-11,20H,1-2H3,(H,25,26)/b24-13-
InChIKeyLDFLFYQNYUTJEL-CFRMEGHHSA-N
XLogP4.30
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.30
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

2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
CID 6534705
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide (CID 6142695) is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(C)nc2ccccc12)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is LDFLFYQNYUTJEL-CFRMEGHHSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12-11-17(16-5-3-4-6-18(16)23-12)19(26)25-24-13(2)14-7-9-15(10-8-14)27-20(21)22/h3-11,20H,1-2H3,(H,25,26)/b24-13-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide?
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 6142695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).