6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine

C23H24F2N8O — CID 155559978

IUPAC6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
SMILESCN1CCOc2c1cnn1c(-c3ccc4cc(F)cc(NCC5(F)CCNCC5)c4n3)nnc21
InChIInChI=1S/C23H24F2N8O/c1-32-8-9-34-20-18(32)12-28-33-21(30-31-22(20)33)16-3-2-14-10-15(24)11-17(19(14)29-16)27-13-23(25)4-6-26-7-5-23/h2-3,10-12,26-27H,4-9,13H2,1H3
InChIKeyFRVOCFJDZQHLPC-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.81
Rot. Bonds4

About 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine

6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine (PubChem CID 155559978) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
PubChem CID155559978
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
SMILESCN1CCOc2c1cnn1c(-c3ccc4cc(F)cc(NCC5(F)CCNCC5)c4n3)nnc21
InChIInChI=1S/C23H24F2N8O/c1-32-8-9-34-20-18(32)12-28-33-21(30-31-22(20)33)16-3-2-14-10-15(24)11-17(19(14)29-16)27-13-23(25)4-6-26-7-5-23/h2-3,10-12,26-27H,4-9,13H2,1H3
InChIKeyFRVOCFJDZQHLPC-UHFFFAOYSA-N
XLogP2.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
The IUPAC name of 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine (CID 155559978) is 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine.
What is the SMILES notation for 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
The canonical SMILES for 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine is CN1CCOc2c1cnn1c(-c3ccc4cc(F)cc(NCC5(F)CCNCC5)c4n3)nnc21.
What is the InChIKey of 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
The InChIKey is FRVOCFJDZQHLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c1-32-8-9-34-20-18(32)12-28-33-21(30-31-22(20)33)16-3-2-14-10-15(24)11-17(19(14)29-16)27-13-23(25)4-6-26-7-5-23/h2-3,10-12,26-27H,4-9,13H2,1H3.
What are the key properties of 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine has a molecular weight of 466.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine is sourced from PubChem (CID 155559978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).