7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide

C18H18F5N3O2 — CID 129247506

IUPAC7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
SMILESC[C@@H](NC1CC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)C1)C(F)F
InChIInChI=1S/C18H18F5N3O2/c1-8(16(20)21)25-11-4-12(5-11)26-17(27)10-2-9-3-13(19)15(28-18(22)23)6-14(9)24-7-10/h2-3,6-8,11-12,16,18,25H,4-5H2,1H3,(H,26,27)/t8-,11?,12?/m1/s1
InChIKeyPBIFBAAFCUJLDD-HUUUCTMMSA-N
MW403.35 g/mol
LogP3.48
Rot. Bonds7

About 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide

7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide (PubChem CID 129247506) has the molecular formula C18H18F5N3O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
PubChem CID129247506
Molecular FormulaC18H18F5N3O2
Molecular Weight403.35 g/mol
Exact Mass403.13
IUPAC Name7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
SMILESC[C@@H](NC1CC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)C1)C(F)F
InChIInChI=1S/C18H18F5N3O2/c1-8(16(20)21)25-11-4-12(5-11)26-17(27)10-2-9-3-13(19)15(28-18(22)23)6-14(9)24-7-10/h2-3,6-8,11-12,16,18,25H,4-5H2,1H3,(H,26,27)/t8-,11?,12?/m1/s1
InChIKeyPBIFBAAFCUJLDD-HUUUCTMMSA-N
XLogP3.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
CID 129247417
7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 129247718
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
CID 150149024
N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
CID 158568245
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-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
CID 145333231
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide (CID 129247506) is 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide is C[C@@H](NC1CC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)C1)C(F)F.
What is the InChIKey of 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide?
The InChIKey is PBIFBAAFCUJLDD-HUUUCTMMSA-N. The full InChI is InChI=1S/C18H18F5N3O2/c1-8(16(20)21)25-11-4-12(5-11)26-17(27)10-2-9-3-13(19)15(28-18(22)23)6-14(9)24-7-10/h2-3,6-8,11-12,16,18,25H,4-5H2,1H3,(H,26,27)/t8-,11?,12?/m1/s1.
What are the key properties of 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide?
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide has a molecular weight of 403.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 129247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).