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

C22H19N3O5S2 — CID 23119811

IUPAC3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione
SMILESCOc1c(S(=O)(=O)N2CCCc3ccccc32)csc1-n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H19N3O5S2/c1-30-19-18(32(28,29)24-12-6-8-14-7-2-5-11-17(14)24)13-31-21(19)25-20(26)15-9-3-4-10-16(15)23-22(25)27/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,27)
InChIKeyJNBMZQTVADZJOV-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.89
Rot. Bonds4

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

3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione (PubChem CID 23119811) has the molecular formula C22H19N3O5S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione
PubChem CID23119811
Molecular FormulaC22H19N3O5S2
Molecular Weight469.54 g/mol
Exact Mass469.08
IUPAC Name3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione
SMILESCOc1c(S(=O)(=O)N2CCCc3ccccc32)csc1-n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H19N3O5S2/c1-30-19-18(32(28,29)24-12-6-8-14-7-2-5-11-17(14)24)13-31-21(19)25-20(26)15-9-3-4-10-16(15)23-22(25)27/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,27)
InChIKeyJNBMZQTVADZJOV-UHFFFAOYSA-N
XLogP2.89
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione
CID 23120443
3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
CID 23119873
3-(2,4-dioxo-1H-quinazolin-3-yl)-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carboxamide
CID 23119849
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
3-[3-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23120272
3-[3-[(6,9-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]phenyl]-1H-quinazoline-2,4-dione
CID 23120182
2-trimethylsilylethyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-2,4-dioxo-1H-quinazoline-5-carboxylate
CID 23119984
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione
CID 23120072
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(hydroxyiminomethyl)-1H-quinazoline-2,4-dione
CID 86609978
tert-butyl 2-[[2-[3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,4-dioxo-1H-quinazolin-5-yl]acetyl]amino]acetate
CID 23120169
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione (CID 23119811) is 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione is COc1c(S(=O)(=O)N2CCCc3ccccc32)csc1-n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione?
The InChIKey is JNBMZQTVADZJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S2/c1-30-19-18(32(28,29)24-12-6-8-14-7-2-5-11-17(14)24)13-31-21(19)25-20(26)15-9-3-4-10-16(15)23-22(25)27/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,23,27).
What are the key properties of 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione?
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione has a molecular weight of 469.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 23119811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).