N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide

C21H25N3O2S — CID 42713266

IUPACN-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C21H25N3O2S/c1-4-12-23(21(26)18-11-8-14-27-18)15(3)19-22-17-10-7-6-9-16(17)20(25)24(19)13-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyVNYTYWVAISTZDA-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.48
Rot. Bonds7

About N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide

N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide (PubChem CID 42713266) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
PubChem CID42713266
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C21H25N3O2S/c1-4-12-23(21(26)18-11-8-14-27-18)15(3)19-22-17-10-7-6-9-16(17)20(25)24(19)13-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyVNYTYWVAISTZDA-UHFFFAOYSA-N
XLogP4.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide
CID 42717618
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]thiophene-2-carboxamide
CID 42711162
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713290
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide (CID 42713266) is N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C(C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is VNYTYWVAISTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-4-12-23(21(26)18-11-8-14-27-18)15(3)19-22-17-10-7-6-9-16(17)20(25)24(19)13-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide?
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 42713266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).