N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

C20H22N4O2 — CID 45030780

IUPACN-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-4-18-22-17-8-6-5-7-16(17)20(26)24(18)13-19(25)21-14-9-11-15(12-10-14)23(2)3/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyXUIJKMGHDDJBTI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.66
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 45030780) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID45030780
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-4-18-22-17-8-6-5-7-16(17)20(26)24(18)13-19(25)21-14-9-11-15(12-10-14)23(2)3/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyXUIJKMGHDDJBTI-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 45030855
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
N-[4-(dimethylamino)phenyl]-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713160
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 4984690
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540
3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539285
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
CID 45030789

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (CID 45030780) is N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is XUIJKMGHDDJBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-18-22-17-8-6-5-7-16(17)20(26)24(18)13-19(25)21-14-9-11-15(12-10-14)23(2)3/h5-12H,4,13H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 45030780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).