N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide

C26H32ClN3O3 — CID 42712376

IUPACN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
SMILESCCCCCCN(C(=O)COc1ccccc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C26H32ClN3O3/c1-4-6-7-11-16-30(24(31)18-33-21-12-9-8-10-13-21)19(3)25-28-23-17-20(27)14-15-22(23)26(32)29(25)5-2/h8-10,12-15,17,19H,4-7,11,16,18H2,1-3H3
InChIKeyJFWHVNHVNUYVKW-UHFFFAOYSA-N
MW470.01 g/mol
LogP5.62
Rot. Bonds11

About N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide (PubChem CID 42712376) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
PubChem CID42712376
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
SMILESCCCCCCN(C(=O)COc1ccccc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C26H32ClN3O3/c1-4-6-7-11-16-30(24(31)18-33-21-12-9-8-10-13-21)19(3)25-28-23-17-20(27)14-15-22(23)26(32)29(25)5-2/h8-10,12-15,17,19H,4-7,11,16,18H2,1-3H3
InChIKeyJFWHVNHVNUYVKW-UHFFFAOYSA-N
XLogP5.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.01
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-2-phenylmethoxyacetamide
CID 42712325
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
CID 42713246
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-hexylamino]-4-oxobutanoate
CID 42711715
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylmethoxy-N-propylacetamide
CID 42714065
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42714210
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide?
The IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide (CID 42712376) is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide?
The canonical SMILES for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide is CCCCCCN(C(=O)COc1ccccc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1CC.
What is the InChIKey of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide?
The InChIKey is JFWHVNHVNUYVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-4-6-7-11-16-30(24(31)18-33-21-12-9-8-10-13-21)19(3)25-28-23-17-20(27)14-15-22(23)26(32)29(25)5-2/h8-10,12-15,17,19H,4-7,11,16,18H2,1-3H3.
What are the key properties of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide?
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide has a molecular weight of 470.01 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide is sourced from PubChem (CID 42712376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).