N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide

C21H23N3O2 — CID 42715387

IUPACN-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
SMILESCCC(=O)N(CC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-4-19(25)23(5-2)15(3)20-22-18-14-10-9-13-17(18)21(26)24(20)16-11-7-6-8-12-16/h6-15H,4-5H2,1-3H3
InChIKeyHLZXVZLSXGKTAN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.71
Rot. Bonds5

About N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide

N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide (PubChem CID 42715387) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
PubChem CID42715387
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
SMILESCCC(=O)N(CC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-4-19(25)23(5-2)15(3)20-22-18-14-10-9-13-17(18)21(26)24(20)16-11-7-6-8-12-16/h6-15H,4-5H2,1-3H3
InChIKeyHLZXVZLSXGKTAN-UHFFFAOYSA-N
XLogP3.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpropanamide
CID 42721977
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylpropanamide
CID 42721878
N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715400
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-phenyl-N-propylbutanamide
CID 42715437
N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
CID 42711039
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42715489
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-3,3-dimethylbutanamide
CID 42717317
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide
CID 42721625
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide?
The IUPAC name of N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide (CID 42715387) is N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide.
What is the SMILES notation for N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide?
The canonical SMILES for N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide is CCC(=O)N(CC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide?
The InChIKey is HLZXVZLSXGKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-19(25)23(5-2)15(3)20-22-18-14-10-9-13-17(18)21(26)24(20)16-11-7-6-8-12-16/h6-15H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide?
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide is sourced from PubChem (CID 42715387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).