5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide

C20H14ClN3O3S — CID 23120213

IUPAC5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide
SMILESCN(C(=O)c1cc(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)s1)c1ccccc1
InChIInChI=1S/C20H14ClN3O3S/c1-23(12-7-3-2-4-8-12)19(26)16-11-15(17(21)28-16)24-18(25)13-9-5-6-10-14(13)22-20(24)27/h2-11H,1H3,(H,22,27)
InChIKeyPGOAZKPRUKGLCF-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.67
Rot. Bonds3

About 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide

5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide (PubChem CID 23120213) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide
PubChem CID23120213
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC Name5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide
SMILESCN(C(=O)c1cc(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)s1)c1ccccc1
InChIInChI=1S/C20H14ClN3O3S/c1-23(12-7-3-2-4-8-12)19(26)16-11-15(17(21)28-16)24-18(25)13-9-5-6-10-14(13)22-20(24)27/h2-11H,1H3,(H,22,27)
InChIKeyPGOAZKPRUKGLCF-UHFFFAOYSA-N
XLogP3.67
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-chloro-5-[methyl(phenyl)carbamoyl]phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 16656822
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
methyl 5-chloro-4-[5-(hydroxymethyl)-2,4-dioxo-1H-quinazolin-3-yl]thiophene-2-carboxylate
CID 23119850
4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dioxo-1H-quinazolin-3-yl]-5-chloro-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 58794253
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
1-(5-chloro-3-fluorothiophen-2-yl)sulfonyl-1-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
CID 90991754
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
N-methyl-2-oxo-N-phenyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 866567
6-hydroxy-N-methyl-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
CID 67821737
3-(dimethylamino)-1H-quinazoline-2,4-dione
CID 3058904

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide (CID 23120213) is 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide is CN(C(=O)c1cc(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)s1)c1ccccc1.
What is the InChIKey of 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide?
The InChIKey is PGOAZKPRUKGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c1-23(12-7-3-2-4-8-12)19(26)16-11-15(17(21)28-16)24-18(25)13-9-5-6-10-14(13)22-20(24)27/h2-11H,1H3,(H,22,27).
What are the key properties of 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide?
5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)-N-methyl-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 23120213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).