N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide

C17H21N3O2 — CID 2383493

IUPACN-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide
SMILESCN(C(=O)COc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyYLYLMLOJBKPHGJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.80
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide

N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide (PubChem CID 2383493) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide
PubChem CID2383493
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide
SMILESCN(C(=O)COc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyYLYLMLOJBKPHGJ-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenazaquin
CID 86356
4-Methoxyquinazoline
CID 27831
2-(Quinazolin-4-yloxy)acetic acid
CID 3148347
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
2-(4-methoxyphenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440762
1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3d)
CID 118796624
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(phenylmethoxy)-
CID 3076002
4-(Cyclohexyloxy)quinazoline
CID 44591868
1-(4-(4-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3e)
CID 118796625
N,N-dimethyl-4-(6-nitroquinazolin-4-yl)oxycyclohexan-1-amine
CID 126961337
4-Ethoxyquinazoline
CID 589708
N,N-diethyl-4-methoxyquinazolin-2-amine;oxalic acid
CID 49859834

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide (CID 2383493) is N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide is CN(C(=O)COc1ncnc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide?
The InChIKey is YLYLMLOJBKPHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide?
N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2383493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).