6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide

C16H12ClF5N2O3 — CID 129247820

IUPAC6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
SMILESO=C(NC1CC(O)(C(F)(F)F)C1)c1cnc2cc(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C16H12ClF5N2O3/c17-10-2-7-1-8(6-23-11(7)3-12(10)27-14(18)19)13(25)24-9-4-15(26,5-9)16(20,21)22/h1-3,6,9,14,26H,4-5H2,(H,24,25)
InChIKeyWJLDPNFGCQLHTI-UHFFFAOYSA-N
MW410.73 g/mol
LogP3.68
Rot. Bonds4

About 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide

6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide (PubChem CID 129247820) has the molecular formula C16H12ClF5N2O3 and a molecular weight of 410.73 g/mol. Its IUPAC name is 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
PubChem CID129247820
Molecular FormulaC16H12ClF5N2O3
Molecular Weight410.73 g/mol
Exact Mass410.05
IUPAC Name6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
SMILESO=C(NC1CC(O)(C(F)(F)F)C1)c1cnc2cc(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C16H12ClF5N2O3/c17-10-2-7-1-8(6-23-11(7)3-12(10)27-14(18)19)13(25)24-9-4-15(26,5-9)16(20,21)22/h1-3,6,9,14,26H,4-5H2,(H,24,25)
InChIKeyWJLDPNFGCQLHTI-UHFFFAOYSA-N
XLogP3.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.73
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide with MolForge

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Related Compounds

4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
CID 145333231
2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
CID 126830073
N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
CID 129247417
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide (CID 129247820) is 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide is O=C(NC1CC(O)(C(F)(F)F)C1)c1cnc2cc(OC(F)F)c(Cl)cc2c1.
What is the InChIKey of 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide?
The InChIKey is WJLDPNFGCQLHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5N2O3/c17-10-2-7-1-8(6-23-11(7)3-12(10)27-14(18)19)13(25)24-9-4-15(26,5-9)16(20,21)22/h1-3,6,9,14,26H,4-5H2,(H,24,25).
What are the key properties of 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide?
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide has a molecular weight of 410.73 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide is sourced from PubChem (CID 129247820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).