N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide

C22H20BrFN2O2 — CID 72944202

IUPACN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide
SMILESO=C(NC1CCC(Oc2ccnc3c(Br)cccc23)CC1)c1cccc(F)c1
InChIInChI=1S/C22H20BrFN2O2/c23-19-6-2-5-18-20(11-12-25-21(18)19)28-17-9-7-16(8-10-17)26-22(27)14-3-1-4-15(24)13-14/h1-6,11-13,16-17H,7-10H2,(H,26,27)
InChIKeyZMKIYBGNNRFQBA-UHFFFAOYSA-N
MW443.32 g/mol
LogP5.26
Rot. Bonds4

About N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide

N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide (PubChem CID 72944202) has the molecular formula C22H20BrFN2O2 and a molecular weight of 443.32 g/mol. Its IUPAC name is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide
PubChem CID72944202
Molecular FormulaC22H20BrFN2O2
Molecular Weight443.32 g/mol
Exact Mass442.07
IUPAC NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide
SMILESO=C(NC1CCC(Oc2ccnc3c(Br)cccc23)CC1)c1cccc(F)c1
InChIInChI=1S/C22H20BrFN2O2/c23-19-6-2-5-18-20(11-12-25-21(18)19)28-17-9-7-16(8-10-17)26-22(27)14-3-1-4-15(24)13-14/h1-6,11-13,16-17H,7-10H2,(H,26,27)
InChIKeyZMKIYBGNNRFQBA-UHFFFAOYSA-N
XLogP5.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 162659434
5-bromo-2-methoxy-N-5-quinolinylbenzamide
CID 1254541
N-{trans-4-[(8-cyanoquinolin-4-yl)oxy]cyclohexyl}-3-fluorobenzamide
CID 72706003
3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide
CID 1018024
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 1261460
3-bromo-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide
CID 45488610
[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone
CID 118726315
N-({trans-4-[(8-fluoroquinolin-4-yl)oxy]cyclohexyl}methyl)-4-fluorobenzamide
CID 72943976
N-{trans-4-[(8-bromoquinolin-4-yl)oxy]cyclohexyl}-5-methylisoxazole-3-carboxamide
CID 72944083
N-[trans-4-(4-quinolyloxy)cyclohexyl]-3,4-difluorobenzamide
CID 72944084
3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944199
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide (CID 72944202) is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide is O=C(NC1CCC(Oc2ccnc3c(Br)cccc23)CC1)c1cccc(F)c1.
What is the InChIKey of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
The InChIKey is ZMKIYBGNNRFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O2/c23-19-6-2-5-18-20(11-12-25-21(18)19)28-17-9-7-16(8-10-17)26-22(27)14-3-1-4-15(24)13-14/h1-6,11-13,16-17H,7-10H2,(H,26,27).
What are the key properties of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide?
N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide has a molecular weight of 443.32 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluorobenzamide is sourced from PubChem (CID 72944202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).