N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C23H16F2N4O2 — CID 3477696

IUPACN-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H16F2N4O2/c24-23(25)31-17-9-7-15(8-10-17)13-27-29-22(30)19-12-21(16-4-3-11-26-14-16)28-20-6-2-1-5-18(19)20/h1-14,23H,(H,29,30)
InChIKeyOCOCEGMVYNYEJS-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.66
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 3477696) has the molecular formula C23H16F2N4O2 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID3477696
Molecular FormulaC23H16F2N4O2
Molecular Weight418.40 g/mol
Exact Mass418.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H16F2N4O2/c24-23(25)31-17-9-7-15(8-10-17)13-27-29-22(30)19-12-21(16-4-3-11-26-14-16)28-20-6-2-1-5-18(19)20/h1-14,23H,(H,29,30)
InChIKeyOCOCEGMVYNYEJS-UHFFFAOYSA-N
XLogP4.66
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-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

N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4618882
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 3477696) is N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NN=Cc1ccc(OC(F)F)cc1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is OCOCEGMVYNYEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2/c24-23(25)31-17-9-7-15(8-10-17)13-27-29-22(30)19-12-21(16-4-3-11-26-14-16)28-20-6-2-1-5-18(19)20/h1-14,23H,(H,29,30).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 3477696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).