8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide

C20H17F2N3O2 — CID 169199608

IUPAC8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1ncco1)c1cnc2c(C3=CCC(F)(F)CC3)cccc2c1
InChIInChI=1S/C20H17F2N3O2/c21-20(22)6-4-13(5-7-20)16-3-1-2-14-10-15(11-24-18(14)16)19(26)25-12-17-23-8-9-27-17/h1-4,8-11H,5-7,12H2,(H,25,26)
InChIKeyNBOXGTMUDSRISL-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.36
Rot. Bonds4

About 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide

8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 169199608) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
PubChem CID169199608
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1ncco1)c1cnc2c(C3=CCC(F)(F)CC3)cccc2c1
InChIInChI=1S/C20H17F2N3O2/c21-20(22)6-4-13(5-7-20)16-3-1-2-14-10-15(11-24-18(14)16)19(26)25-12-17-23-8-9-27-17/h1-4,8-11H,5-7,12H2,(H,25,26)
InChIKeyNBOXGTMUDSRISL-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclopentylamino)-8-methyl-6-(3-(oxazol-2-yl)phenyl)quinoline-3-carboxamide (28)
CID 91970486
4-[[2-Fluoro-6-(trifluoromethyl)phenyl]methylamino]-2-(1,3-oxazol-2-ylmethylamino)-7-(trifluoromethyl)quinazoline-8-carboxamide
CID 145970214
6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
CID 67290784
6-fluoro-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
CID 67290789
6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide
CID 67291525
6-fluoro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide
CID 67291527
N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 68510494
2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridin-3-yl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 71533044
[4-(7-Carbamoylindazol-2-yl)phenyl]methyl-(1,3-oxazol-2-ylmethyl)azanium;2,2,2-trifluoroacetate
CID 87363471
6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 91048250
6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
CID 91582888
3-[5-Methyl-1-(1,3-oxazol-2-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171732

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide (CID 169199608) is 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide is O=C(NCc1ncco1)c1cnc2c(C3=CCC(F)(F)CC3)cccc2c1.
What is the InChIKey of 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is NBOXGTMUDSRISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-20(22)6-4-13(5-7-20)16-3-1-2-14-10-15(11-24-18(14)16)19(26)25-12-17-23-8-9-27-17/h1-4,8-11H,5-7,12H2,(H,25,26).
What are the key properties of 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide?
8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 169199608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).