N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide

C20H24BrN3O2 — CID 175342472

IUPACN-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(Br)ccc2cn1)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H24BrN3O2/c21-17-5-4-15-14-22-18(13-16(15)12-17)23-19(25)20(6-2-1-3-7-20)24-8-10-26-11-9-24/h4-5,12-14H,1-3,6-11H2,(H,22,23,25)
InChIKeyCPPLPUABPBPOEP-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.97
Rot. Bonds3

About N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide

N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 175342472) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID175342472
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(Br)ccc2cn1)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H24BrN3O2/c21-17-5-4-15-14-22-18(13-16(15)12-17)23-19(25)20(6-2-1-3-7-20)24-8-10-26-11-9-24/h4-5,12-14H,1-3,6-11H2,(H,22,23,25)
InChIKeyCPPLPUABPBPOEP-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 71249567
N-(7-bromoisoquinolin-3-yl)acetamide
CID 143763768
N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
CID 122480296
6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
CID 39430292
3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide
CID 136519786
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
CID 86778769
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
2-(6-bromonaphthalen-2-yl)oxy-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55823377
2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 118794152
5-[[(1-morpholin-4-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652941
1-morpholin-4-yl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 118791034

Frequently Asked Questions

What is the IUPAC name of N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 175342472) is N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide is O=C(Nc1cc2cc(Br)ccc2cn1)C1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is CPPLPUABPBPOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c21-17-5-4-15-14-22-18(13-16(15)12-17)23-19(25)20(6-2-1-3-7-20)24-8-10-26-11-9-24/h4-5,12-14H,1-3,6-11H2,(H,22,23,25).
What are the key properties of N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 175342472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).