N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide

C19H16F2N2O2 — CID 154858888

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncccc2c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H16F2N2O2/c1-12(13-4-2-6-16(11-13)25-19(20)21)23-18(24)15-7-8-17-14(10-15)5-3-9-22-17/h2-12,19H,1H3,(H,23,24)
InChIKeyYMERFRGDNNKHIY-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.33
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide (PubChem CID 154858888) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
PubChem CID154858888
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncccc2c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H16F2N2O2/c1-12(13-4-2-6-16(11-13)25-19(20)21)23-18(24)15-7-8-17-14(10-15)5-3-9-22-17/h2-12,19H,1H3,(H,23,24)
InChIKeyYMERFRGDNNKHIY-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 160840469
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide
CID 133316843

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide (CID 154858888) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide is CC(NC(=O)c1ccc2ncccc2c1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide?
The InChIKey is YMERFRGDNNKHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-12(13-4-2-6-16(11-13)25-19(20)21)23-18(24)15-7-8-17-14(10-15)5-3-9-22-17/h2-12,19H,1H3,(H,23,24).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 154858888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).