N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen

C20H18F3N5O3 — CID 158568245

IUPACN-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
SMILESN#Cc1cnc(N2CCC(NC(=O)c3cnc4cc(OC(F)F)c(F)cc4c3)CC2)o1.[H][H]
InChIInChI=1S/C20H16F3N5O3.H2/c21-15-6-11-5-12(9-25-16(11)7-17(15)31-19(22)23)18(29)27-13-1-3-28(4-2-13)20-26-10-14(8-24)30-20;/h5-7,9-10,13,19H,1-4H2,(H,27,29);1H
InChIKeyHRTFLYBKAADDJN-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen

N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen (PubChem CID 158568245) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
PubChem CID158568245
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC NameN-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
SMILESN#Cc1cnc(N2CCC(NC(=O)c3cnc4cc(OC(F)F)c(F)cc4c3)CC2)o1.[H][H]
InChIInChI=1S/C20H16F3N5O3.H2/c21-15-6-11-5-12(9-25-16(11)7-17(15)31-19(22)23)18(29)27-13-1-3-28(4-2-13)20-26-10-14(8-24)30-20;/h5-7,9-10,13,19H,1-4H2,(H,27,29);1H
InChIKeyHRTFLYBKAADDJN-UHFFFAOYSA-N
XLogP3.48
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen with MolForge

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Related Compounds

7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
CID 129247417
N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 129247718
4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
CID 129276278
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
CID 145333175
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen (CID 158568245) is N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen is N#Cc1cnc(N2CCC(NC(=O)c3cnc4cc(OC(F)F)c(F)cc4c3)CC2)o1.[H][H].
What is the InChIKey of N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen?
The InChIKey is HRTFLYBKAADDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3.H2/c21-15-6-11-5-12(9-25-16(11)7-17(15)31-19(22)23)18(29)27-13-1-3-28(4-2-13)20-26-10-14(8-24)30-20;/h5-7,9-10,13,19H,1-4H2,(H,27,29);1H.
What are the key properties of N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen?
N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen has a molecular weight of 433.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158568245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).