4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide

C22H26ClN3O3 — CID 18887217

IUPAC4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide
SMILESCCCC1Nc2ccccc2C(=O)N1NC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C22H26ClN3O3/c1-3-7-20-24-18-9-5-4-8-17(18)22(28)26(20)25-21(27)10-6-13-29-19-12-11-16(23)14-15(19)2/h4-5,8-9,11-12,14,20,24H,3,6-7,10,13H2,1-2H3,(H,25,27)
InChIKeyCAWQPOYMDQXMKP-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.53
Rot. Bonds8

About 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide (PubChem CID 18887217) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide
PubChem CID18887217
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide
SMILESCCCC1Nc2ccccc2C(=O)N1NC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C22H26ClN3O3/c1-3-7-20-24-18-9-5-4-8-17(18)22(28)26(20)25-21(27)10-6-13-29-19-12-11-16(23)14-15(19)2/h4-5,8-9,11-12,14,20,24H,3,6-7,10,13H2,1-2H3,(H,25,27)
InChIKeyCAWQPOYMDQXMKP-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 4795998
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide (CID 18887217) is 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide is CCCC1Nc2ccccc2C(=O)N1NC(=O)CCCOc1ccc(Cl)cc1C.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide?
The InChIKey is CAWQPOYMDQXMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-3-7-20-24-18-9-5-4-8-17(18)22(28)26(20)25-21(27)10-6-13-29-19-12-11-16(23)14-15(19)2/h4-5,8-9,11-12,14,20,24H,3,6-7,10,13H2,1-2H3,(H,25,27).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide has a molecular weight of 415.92 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(4-oxo-2-propyl-1,2-dihydroquinazolin-3-yl)butanamide is sourced from PubChem (CID 18887217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).