N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide

C21H19N3O2S — CID 137281094

IUPACN-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2ccccc2c1C
InChIInChI=1S/C21H19N3O2S/c1-3-24(12-18-22-16-10-6-4-9-15(16)20(25)23-18)21(26)19-13(2)14-8-5-7-11-17(14)27-19/h4-11H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyRUXUCXKGCWYRGC-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.11
Rot. Bonds4

About N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide

N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 137281094) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID137281094
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2ccccc2c1C
InChIInChI=1S/C21H19N3O2S/c1-3-24(12-18-22-16-10-6-4-9-15(16)20(25)23-18)21(26)19-13(2)14-8-5-7-11-17(14)27-19/h4-11H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyRUXUCXKGCWYRGC-UHFFFAOYSA-N
XLogP4.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-fluoro-3-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 137289760
N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide
CID 137289762
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
ethyl 5-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135890805
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
5-bromo-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135893606
3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 135888519
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 137287070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide (CID 137281094) is N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2ccccc2c1C.
What is the InChIKey of N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is RUXUCXKGCWYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-3-24(12-18-22-16-10-6-4-9-15(16)20(25)23-18)21(26)19-13(2)14-8-5-7-11-17(14)27-19/h4-11H,3,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide?
N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 137281094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).