3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione

C21H17N3O4S2 — CID 23120443

IUPAC3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1
InChIInChI=1S/C21H17N3O4S2/c25-20-16-8-2-3-9-17(16)22-21(26)24(20)19-12-15(13-29-19)30(27,28)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,12-13H,5,7,11H2,(H,22,26)
InChIKeyGCKZTLSJTPBHFH-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.88
Rot. Bonds3

About 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione

3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione (PubChem CID 23120443) has the molecular formula C21H17N3O4S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione
PubChem CID23120443
Molecular FormulaC21H17N3O4S2
Molecular Weight439.52 g/mol
Exact Mass439.07
IUPAC Name3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1
InChIInChI=1S/C21H17N3O4S2/c25-20-16-8-2-3-9-17(16)22-21(26)24(20)19-12-15(13-29-19)30(27,28)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,12-13H,5,7,11H2,(H,22,26)
InChIKeyGCKZTLSJTPBHFH-UHFFFAOYSA-N
XLogP2.88
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
CID 23119873
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione
CID 23119811
2-trimethylsilylethyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-2,4-dioxo-1H-quinazoline-5-carboxylate
CID 23119984
3-(2,4-dioxo-1H-quinazolin-3-yl)-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carboxamide
CID 23119849
3-[3-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23120272
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(hydroxyiminomethyl)-1H-quinazoline-2,4-dione
CID 86609978
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione
CID 23120072
3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119927
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59310085
3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119972
3-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-1H-quinazoline-2,4-dione
CID 23120212
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7-methyl-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 58022266

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione (CID 23120443) is 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1.
What is the InChIKey of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione?
The InChIKey is GCKZTLSJTPBHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S2/c25-20-16-8-2-3-9-17(16)22-21(26)24(20)19-12-15(13-29-19)30(27,28)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,12-13H,5,7,11H2,(H,22,26).
What are the key properties of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione?
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione has a molecular weight of 439.52 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 23120443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).