N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide

C18H19N3O2S — CID 135549132

IUPACN-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-2-3-10-21(18(23)15-9-6-11-24-15)12-16-19-14-8-5-4-7-13(14)17(22)20-16/h4-9,11H,2-3,10,12H2,1H3,(H,19,20,22)
InChIKeyACOWYBJNRUGQAB-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.43
Rot. Bonds6

About N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide

N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 135549132) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID135549132
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-2-3-10-21(18(23)15-9-6-11-24-15)12-16-19-14-8-5-4-7-13(14)17(22)20-16/h4-9,11H,2-3,10,12H2,1H3,(H,19,20,22)
InChIKeyACOWYBJNRUGQAB-UHFFFAOYSA-N
XLogP3.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135569960
N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629311
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 135935998
1-butyl-3-(4-butylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789229
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 135809146
5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135665198
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 137265056

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (CID 135549132) is N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccs1.
What is the InChIKey of N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ACOWYBJNRUGQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-3-10-21(18(23)15-9-6-11-24-15)12-16-19-14-8-5-4-7-13(14)17(22)20-16/h4-9,11H,2-3,10,12H2,1H3,(H,19,20,22).
What are the key properties of N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135549132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).