4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide

C23H24ClN3O4 — CID 135775979

IUPAC4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H24ClN3O4/c1-3-27(14-21-25-20-13-17(24)8-11-19(20)23(30)26-21)22(29)5-4-12-31-18-9-6-16(7-10-18)15(2)28/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,26,30)
InChIKeyGXCGMTVBQLSZCQ-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.99
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide

4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide (PubChem CID 135775979) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide
PubChem CID135775979
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H24ClN3O4/c1-3-27(14-21-25-20-13-17(24)8-11-19(20)23(30)26-21)22(29)5-4-12-31-18-9-6-16(7-10-18)15(2)28/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,26,30)
InChIKeyGXCGMTVBQLSZCQ-UHFFFAOYSA-N
XLogP3.99
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylbutanamide
CID 136959720
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 135888041
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2,6-dimethylphenoxy)-N-ethylacetamide
CID 135875142
2-(2-bromo-4-chlorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875145
(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide
CID 135941956
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 135875146
5-acetyl-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 135931570
2-(4-bromo-2-fluorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875187
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-phenylbutanamide
CID 135903797
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-(4-ethylphenyl)-4-oxo-N-propylbutanamide
CID 135962404
N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide
CID 137294577

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide (CID 135775979) is 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCOc1ccc(C(C)=O)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide?
The InChIKey is GXCGMTVBQLSZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-3-27(14-21-25-20-13-17(24)8-11-19(20)23(30)26-21)22(29)5-4-12-31-18-9-6-16(7-10-18)15(2)28/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,26,30).
What are the key properties of 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide?
4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide has a molecular weight of 441.92 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide is sourced from PubChem (CID 135775979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).