4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide

C23H20ClFN2O2 — CID 149391659

IUPAC4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide
SMILESO=C(NCC1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClFN2O2/c24-14-3-1-13(2-4-14)23(28)27-12-20-17-10-16(11-18(17)20)29-22-7-8-26-21-6-5-15(25)9-19(21)22/h1-9,16-18,20H,10-12H2,(H,27,28)/t16?,17-,18+,20?
InChIKeyYNQNZOOVNCLJBO-OYBTXZFASA-N
MW410.88 g/mol
LogP4.86
Rot. Bonds5

About 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide

4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide (PubChem CID 149391659) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide
PubChem CID149391659
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide
SMILESO=C(NCC1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClFN2O2/c24-14-3-1-13(2-4-14)23(28)27-12-20-17-10-16(11-18(17)20)29-22-7-8-26-21-6-5-15(25)9-19(21)22/h1-9,16-18,20H,10-12H2,(H,27,28)/t16?,17-,18+,20?
InChIKeyYNQNZOOVNCLJBO-OYBTXZFASA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(1H-indol-4-yloxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132247301
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
(3,4-Dichlorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256810
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903
4-phenylmethoxy-N-quinolin-5-ylbenzamide
CID 1017989
N-(4-Amino-quinolin-6-yl)-2-(4-chloro-phenoxymethyl)-benzamide
CID 10668903
n-(4-Chlorophenyl)-6-(4-quinolinyloxy)-1-naphthalenecarboxamide
CID 24822267
N-{trans-4-[(8-cyanoquinolin-4-yl)oxy]cyclohexyl}-3-fluorobenzamide
CID 72706003
N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide
CID 121328273
4-chloro-N-[1-[(1R,5S)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 152878566
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 5095364

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide (CID 149391659) is 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide is O=C(NCC1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide?
The InChIKey is YNQNZOOVNCLJBO-OYBTXZFASA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c24-14-3-1-13(2-4-14)23(28)27-12-20-17-10-16(11-18(17)20)29-22-7-8-26-21-6-5-15(25)9-19(21)22/h1-9,16-18,20H,10-12H2,(H,27,28)/t16?,17-,18+,20?.
What are the key properties of 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide?
4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide has a molecular weight of 410.88 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide is sourced from PubChem (CID 149391659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).