N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide

C19H20F5N3O2 — CID 129247875

IUPACN-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
SMILESO=C(NC1CCC(NCC(F)F)CC1)c1cnc2cc(OC(F)F)c(F)cc2c1
InChIInChI=1S/C19H20F5N3O2/c20-14-6-10-5-11(8-26-15(10)7-16(14)29-19(23)24)18(28)27-13-3-1-12(2-4-13)25-9-17(21)22/h5-8,12-13,17,19,25H,1-4,9H2,(H,27,28)
InChIKeyQPIXIBLDHHKUMY-UHFFFAOYSA-N
MW417.38 g/mol
LogP3.87
Rot. Bonds7

About N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide

N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide (PubChem CID 129247875) has the molecular formula C19H20F5N3O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
PubChem CID129247875
Molecular FormulaC19H20F5N3O2
Molecular Weight417.38 g/mol
Exact Mass417.15
IUPAC NameN-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
SMILESO=C(NC1CCC(NCC(F)F)CC1)c1cnc2cc(OC(F)F)c(F)cc2c1
InChIInChI=1S/C19H20F5N3O2/c20-14-6-10-5-11(8-26-15(10)7-16(14)29-19(23)24)18(28)27-13-3-1-12(2-4-13)25-9-17(21)22/h5-8,12-13,17,19,25H,1-4,9H2,(H,27,28)
InChIKeyQPIXIBLDHHKUMY-UHFFFAOYSA-N
XLogP3.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
CID 129247417
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
CID 158568245
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
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
CID 150149024

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide?
The IUPAC name of N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide (CID 129247875) is N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide is O=C(NC1CCC(NCC(F)F)CC1)c1cnc2cc(OC(F)F)c(F)cc2c1.
What is the InChIKey of N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide?
The InChIKey is QPIXIBLDHHKUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N3O2/c20-14-6-10-5-11(8-26-15(10)7-16(14)29-19(23)24)18(28)27-13-3-1-12(2-4-13)25-9-17(21)22/h5-8,12-13,17,19,25H,1-4,9H2,(H,27,28).
What are the key properties of N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide?
N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 129247875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).