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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Related Compounds

(1R,2S)-1-(3-fluoro-4-((2-(pyridin-3-yl)quinolin-4-yl)methoxy)benzyl)-N2-hydroxycyclopropane-1,2-dicarboxamide
CID 44581139
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
3-(4-methoxyphenyl)-N-quinolin-3-ylpropanamide
CID 5299704
(1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydroxyamide 2-{[4-(quinolin-4-yloxymethyl)-phenyl]-amide}
CID 44356689
(1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydroxyamide 2-{[4-(quinolin-5-yloxymethyl)-phenyl]-amide}
CID 44357024
N-{trans-4-[(8-cyanoquinolin-4-yl)oxy]cyclohexyl}-3-fluorobenzamide
CID 72706003
N-(4-chlorophenyl)-2-(4-quinolin-4-yloxycyclohexyl)acetamide
CID 121328273
3-amino-N-isoquinolin-6-yl-2-(4-phenylmethoxyphenyl)propanamide
CID 127030602
2-(3,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 147952954
4-chloro-N-[[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]methyl]benzamide
CID 149391659
2-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 150435695

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).