N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide

C24H22F2N2O2 — CID 146318359

IUPACN-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C24H22F2N2O2/c1-13(24(29)28-16-5-2-14(25)3-6-16)23-18-11-17(12-19(18)23)30-22-8-9-27-21-7-4-15(26)10-20(21)22/h2-10,13,17-19,23H,11-12H2,1H3,(H,28,29)/t13?,17?,18-,19+,23?
InChIKeyUUIJGJKGZQSKQS-TWESFJLESA-N
MW408.45 g/mol
LogP5.19
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide

N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide (PubChem CID 146318359) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
PubChem CID146318359
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC NameN-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C24H22F2N2O2/c1-13(24(29)28-16-5-2-14(25)3-6-16)23-18-11-17(12-19(18)23)30-22-8-9-27-21-7-4-15(26)10-20(21)22/h2-10,13,17-19,23H,11-12H2,1H3,(H,28,29)/t13?,17?,18-,19+,23?
InChIKeyUUIJGJKGZQSKQS-TWESFJLESA-N
XLogP5.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide (CID 146318359) is N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide is CC(C(=O)Nc1ccc(F)cc1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.
What is the InChIKey of N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
The InChIKey is UUIJGJKGZQSKQS-TWESFJLESA-N. The full InChI is InChI=1S/C24H22F2N2O2/c1-13(24(29)28-16-5-2-14(25)3-6-16)23-18-11-17(12-19(18)23)30-22-8-9-27-21-7-4-15(26)10-20(21)22/h2-10,13,17-19,23H,11-12H2,1H3,(H,28,29)/t13?,17?,18-,19+,23?.
What are the key properties of N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide has a molecular weight of 408.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide is sourced from PubChem (CID 146318359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).