3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C21H17FN4O3S — CID 52659812

IUPAC3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)ccc2c1=O
InChIInChI=1S/C21H17FN4O3S/c1-3-26-19(28)15-9-6-13(10-16(15)23-21(26)29)18(27)25-20-24-17(11(2)30-20)12-4-7-14(22)8-5-12/h4-10H,3H2,1-2H3,(H,23,29)(H,24,25,27)
InChIKeyQGLBYTKQWYFESN-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.53
Rot. Bonds4

About 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide

3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 52659812) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID52659812
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)ccc2c1=O
InChIInChI=1S/C21H17FN4O3S/c1-3-26-19(28)15-9-6-13(10-16(15)23-21(26)29)18(27)25-20-24-17(11(2)30-20)12-4-7-14(22)8-5-12/h4-10H,3H2,1-2H3,(H,23,29)(H,24,25,27)
InChIKeyQGLBYTKQWYFESN-UHFFFAOYSA-N
XLogP3.53
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47049455
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659842
3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 167850294
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
CID 138106852

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 52659812) is 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is QGLBYTKQWYFESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-3-26-19(28)15-9-6-13(10-16(15)23-21(26)29)18(27)25-20-24-17(11(2)30-20)12-4-7-14(22)8-5-12/h4-10H,3H2,1-2H3,(H,23,29)(H,24,25,27).
What are the key properties of 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 52659812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).