N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C25H22F2N2O5 — CID 46100442

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCOc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCc3ccccc3OC(F)F)c2cc1OC
InChIInChI=1S/C25H22F2N2O5/c1-14-8-9-21(33-14)19-10-17(16-11-22(31-2)23(32-3)12-18(16)29-19)24(30)28-13-15-6-4-5-7-20(15)34-25(26)27/h4-12,25H,13H2,1-3H3,(H,28,30)
InChIKeyLEGLQHUBZVFTCQ-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.35
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 46100442) has the molecular formula C25H22F2N2O5 and a molecular weight of 468.46 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID46100442
Molecular FormulaC25H22F2N2O5
Molecular Weight468.46 g/mol
Exact Mass468.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCOc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCc3ccccc3OC(F)F)c2cc1OC
InChIInChI=1S/C25H22F2N2O5/c1-14-8-9-21(33-14)19-10-17(16-11-22(31-2)23(32-3)12-18(16)29-19)24(30)28-13-15-6-4-5-7-20(15)34-25(26)27/h4-12,25H,13H2,1-3H3,(H,28,30)
InChIKeyLEGLQHUBZVFTCQ-UHFFFAOYSA-N
XLogP5.35
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-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

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 46100442) is N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is COc1cc2nc(-c3ccc(C)o3)cc(C(=O)NCc3ccccc3OC(F)F)c2cc1OC.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is LEGLQHUBZVFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O5/c1-14-8-9-21(33-14)19-10-17(16-11-22(31-2)23(32-3)12-18(16)29-19)24(30)28-13-15-6-4-5-7-20(15)34-25(26)27/h4-12,25H,13H2,1-3H3,(H,28,30).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46100442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).