N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide

C17H21N3O2 — CID 2693322

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-12-6-2-4-8-14(12)20-16(21)10-22-17-13-7-3-5-9-15(13)18-11-19-17/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyHVFUALGOZLHNBG-JSGCOSHPSA-N
MW299.37 g/mol
LogP2.70
Rot. Bonds4

About N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide (PubChem CID 2693322) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
PubChem CID2693322
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-12-6-2-4-8-14(12)20-16(21)10-22-17-13-7-3-5-9-15(13)18-11-19-17/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyHVFUALGOZLHNBG-JSGCOSHPSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2573004
N-(2-methylcyclohexyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 17411616
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
2-(6-bromoquinazolin-4-yl)oxy-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55321416
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
2-dibenzofuran-2-yloxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7916392
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009469
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide (CID 2693322) is N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide is C[C@H]1CCCC[C@@H]1NC(=O)COc1ncnc2ccccc12.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide?
The InChIKey is HVFUALGOZLHNBG-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-2-4-8-14(12)20-16(21)10-22-17-13-7-3-5-9-15(13)18-11-19-17/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H,20,21)/t12-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2693322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).