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

C18H19N3O3S — CID 135909619

IUPACN-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sccc1C
InChIInChI=1S/C18H19N3O3S/c1-12-7-10-25-16(12)18(23)21(8-9-24-2)11-15-19-14-6-4-3-5-13(14)17(22)20-15/h3-7,10H,8-9,11H2,1-2H3,(H,19,20,22)
InChIKeyRPZZMLOASYBTOG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds6

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

N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 135909619) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID135909619
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sccc1C
InChIInChI=1S/C18H19N3O3S/c1-12-7-10-25-16(12)18(23)21(8-9-24-2)11-15-19-14-6-4-3-5-13(14)17(22)20-15/h3-7,10H,8-9,11H2,1-2H3,(H,19,20,22)
InChIKeyRPZZMLOASYBTOG-UHFFFAOYSA-N
XLogP2.58
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512
5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135665198
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide
CID 135819529
N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135939332
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135722240
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135842963
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 135569898
2-(2-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722281
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135768682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (CID 135909619) is N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sccc1C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is RPZZMLOASYBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-7-10-25-16(12)18(23)21(8-9-24-2)11-15-19-14-6-4-3-5-13(14)17(22)20-15/h3-7,10H,8-9,11H2,1-2H3,(H,19,20,22).
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135909619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).