3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide

C17H17N3O3S — CID 94132682

IUPAC3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)c3cccs3)ccc2c1=O
InChIInChI=1S/C17H17N3O3S/c1-3-20-16(22)12-7-6-11(9-13(12)19-17(20)23)15(21)18-10(2)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,23)/t10-/m1/s1
InChIKeyVYBDSPUKQAPTNF-SNVBAGLBSA-N
MW343.41 g/mol
LogP2.26
Rot. Bonds4

About 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide

3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide (PubChem CID 94132682) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
PubChem CID94132682
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)c3cccs3)ccc2c1=O
InChIInChI=1S/C17H17N3O3S/c1-3-20-16(22)12-7-6-11(9-13(12)19-17(20)23)15(21)18-10(2)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,23)/t10-/m1/s1
InChIKeyVYBDSPUKQAPTNF-SNVBAGLBSA-N
XLogP2.26
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241
3-ethyl-4-oxo-N-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27660271
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
3-ethyl-N-(5-methylhexan-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 134061413
3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55818543

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide (CID 94132682) is 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)c3cccs3)ccc2c1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide?
The InChIKey is VYBDSPUKQAPTNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-20-16(22)12-7-6-11(9-13(12)19-17(20)23)15(21)18-10(2)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,23)/t10-/m1/s1.
What are the key properties of 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide?
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 94132682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).