N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide

C22H13F2N3O2 — CID 56536900

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESN#CC(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C22H13F2N3O2/c23-13-7-8-15(17(24)10-13)20(12-25)27-22(28)16-11-19(21-6-3-9-29-21)26-18-5-2-1-4-14(16)18/h1-11,20H,(H,27,28)
InChIKeyHTOFGMJNLRRBGF-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.77
Rot. Bonds4

About N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 56536900) has the molecular formula C22H13F2N3O2 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID56536900
Molecular FormulaC22H13F2N3O2
Molecular Weight389.36 g/mol
Exact Mass389.10
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESN#CC(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C22H13F2N3O2/c23-13-7-8-15(17(24)10-13)20(12-25)27-22(28)16-11-19(21-6-3-9-29-21)26-18-5-2-1-4-14(16)18/h1-11,20H,(H,27,28)
InChIKeyHTOFGMJNLRRBGF-UHFFFAOYSA-N
XLogP4.77
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-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

2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 56536900) is N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide is N#CC(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is HTOFGMJNLRRBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N3O2/c23-13-7-8-15(17(24)10-13)20(12-25)27-22(28)16-11-19(21-6-3-9-29-21)26-18-5-2-1-4-14(16)18/h1-11,20H,(H,27,28).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 56536900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).