N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide

C18H23N3O2 — CID 2383243

IUPACN-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide
SMILESCCN(C(=O)COc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-21(14-8-4-3-5-9-14)17(22)12-23-18-15-10-6-7-11-16(15)19-13-20-18/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChIKeyYQKRKCLCPXDXPO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds5

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

N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide (PubChem CID 2383243) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide
PubChem CID2383243
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide
SMILESCCN(C(=O)COc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-21(14-8-4-3-5-9-14)17(22)12-23-18-15-10-6-7-11-16(15)19-13-20-18/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChIKeyYQKRKCLCPXDXPO-UHFFFAOYSA-N
XLogP3.19
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide (CID 2383243) is N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide is CCN(C(=O)COc1ncnc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide?
The InChIKey is YQKRKCLCPXDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-21(14-8-4-3-5-9-14)17(22)12-23-18-15-10-6-7-11-16(15)19-13-20-18/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide?
N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2383243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).