2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide

C22H25N3O4 — CID 11741395

IUPAC2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
SMILESCCCCOCCOCC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O4/c1-2-3-13-28-14-15-29-16-20(26)24-25-21(17-9-5-4-6-10-17)23-19-12-8-7-11-18(19)22(25)27/h4-12H,2-3,13-16H2,1H3,(H,24,26)
InChIKeyOLTYQVHTGGLDAJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.97
Rot. Bonds10

About 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide

2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide (PubChem CID 11741395) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
PubChem CID11741395
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
SMILESCCCCOCCOCC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O4/c1-2-3-13-28-14-15-29-16-20(26)24-25-21(17-9-5-4-6-10-17)23-19-12-8-7-11-18(19)22(25)27/h4-12H,2-3,13-16H2,1H3,(H,24,26)
InChIKeyOLTYQVHTGGLDAJ-UHFFFAOYSA-N
XLogP2.97
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 24750157
2-butoxyethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
CID 14947175
N-(2-methyl-4-oxoquinazolin-3-yl)hexanamide
CID 5090042
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928
N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide
CID 122208556
4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23824051
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246
ethyl N-(6-iodo-4-oxo-2-phenylquinazolin-3-yl)carbamate
CID 10526860
2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one
CID 10429989

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The IUPAC name of 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide (CID 11741395) is 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide is CCCCOCCOCC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The InChIKey is OLTYQVHTGGLDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-3-13-28-14-15-29-16-20(26)24-25-21(17-9-5-4-6-10-17)23-19-12-8-7-11-18(19)22(25)27/h4-12H,2-3,13-16H2,1H3,(H,24,26).
What are the key properties of 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide is sourced from PubChem (CID 11741395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).