3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione

C22H18N4O4S — CID 23119873

IUPAC3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cncc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H18N4O4S/c27-21-18-8-2-3-9-19(18)24-22(28)26(21)16-12-17(14-23-13-16)31(29,30)25-11-5-7-15-6-1-4-10-20(15)25/h1-4,6,8-10,12-14H,5,7,11H2,(H,24,28)
InChIKeyMMOFYOLTKPGANN-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.22
Rot. Bonds3

About 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione

3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione (PubChem CID 23119873) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
PubChem CID23119873
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cncc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H18N4O4S/c27-21-18-8-2-3-9-19(18)24-22(28)26(21)16-12-17(14-23-13-16)31(29,30)25-11-5-7-15-6-1-4-10-20(15)25/h1-4,6,8-10,12-14H,5,7,11H2,(H,24,28)
InChIKeyMMOFYOLTKPGANN-UHFFFAOYSA-N
XLogP2.22
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-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-(2,4-dioxo-1H-quinazolin-3-yl)-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophene-2-carboxamide
CID 23119849
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-methoxythiophen-2-yl]-1H-quinazoline-2,4-dione
CID 23119811
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-(2-hydroxyethyl)-1H-quinazoline-2,4-dione
CID 23120072
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
1-[(5-bromo-3-pyridinyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 62045598
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
ethyl 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 68920511
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
3-[3-[(6,9-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]phenyl]-1H-quinazoline-2,4-dione
CID 23120182
3-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-1H-quinazoline-2,4-dione
CID 23120212

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione (CID 23119873) is 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1cncc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione?
The InChIKey is MMOFYOLTKPGANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c27-21-18-8-2-3-9-19(18)24-22(28)26(21)16-12-17(14-23-13-16)31(29,30)25-11-5-7-15-6-1-4-10-20(15)25/h1-4,6,8-10,12-14H,5,7,11H2,(H,24,28).
What are the key properties of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione?
3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione has a molecular weight of 434.48 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 23119873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).