2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C19H22ClN3O3 — CID 8716448

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C19H22ClN3O3/c1-12-5-2-3-7-15(12)22-19(25)23-17(24)11-26-16-9-8-14(20)13-6-4-10-21-18(13)16/h4,6,8-10,12,15H,2-3,5,7,11H2,1H3,(H2,22,23,24,25)/t12-,15+/m0/s1
InChIKeySAYKZFGIENVJTG-SWLSCSKDSA-N
MW375.86 g/mol
LogP3.67
Rot. Bonds4

About 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 8716448) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID8716448
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C19H22ClN3O3/c1-12-5-2-3-7-15(12)22-19(25)23-17(24)11-26-16-9-8-14(20)13-6-4-10-21-18(13)16/h4,6,8-10,12,15H,2-3,5,7,11H2,1H3,(H2,22,23,24,25)/t12-,15+/m0/s1
InChIKeySAYKZFGIENVJTG-SWLSCSKDSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide with MolForge

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 119601328
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867736
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 97016809
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311
2-(5-chloroquinolin-8-yl)oxy-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8716331
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681472

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 8716448) is 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is SAYKZFGIENVJTG-SWLSCSKDSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12-5-2-3-7-15(12)22-19(25)23-17(24)11-26-16-9-8-14(20)13-6-4-10-21-18(13)16/h4,6,8-10,12,15H,2-3,5,7,11H2,1H3,(H2,22,23,24,25)/t12-,15+/m0/s1.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 375.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 8716448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).