(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

C24H20F2N2O2 — CID 167924136

IUPAC(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(OCC12C3CCC(CC31)C2(F)F)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H20F2N2O2/c25-24(26)15-5-6-18-19(11-15)23(18,24)13-30-22(29)17-12-21(14-7-9-27-10-8-14)28-20-4-2-1-3-16(17)20/h1-4,7-10,12,15,18-19H,5-6,11,13H2
InChIKeyPKQJDJDGCSYJFA-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.14
Rot. Bonds4

About (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 167924136) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID167924136
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(OCC12C3CCC(CC31)C2(F)F)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H20F2N2O2/c25-24(26)15-5-6-18-19(11-15)23(18,24)13-30-22(29)17-12-21(14-7-9-27-10-8-14)28-20-4-2-1-3-16(17)20/h1-4,7-10,12,15,18-19H,5-6,11,13H2
InChIKeyPKQJDJDGCSYJFA-UHFFFAOYSA-N
XLogP5.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate with MolForge

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Related Compounds

(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-yloxybenzoate
CID 167981791
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate
CID 167788318
(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 146086718
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
CID 16569364
[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23882892
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 2463363
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 55318819
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780535

Frequently Asked Questions

What is the IUPAC name of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate (CID 167924136) is (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate is O=C(OCC12C3CCC(CC31)C2(F)F)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is PKQJDJDGCSYJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c25-24(26)15-5-6-18-19(11-15)23(18,24)13-30-22(29)17-12-21(14-7-9-27-10-8-14)28-20-4-2-1-3-16(17)20/h1-4,7-10,12,15,18-19H,5-6,11,13H2.
What are the key properties of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 406.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 167924136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).