tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide

C129H101Cl6N19O26S13 — CID 158236237

IUPACtetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O
InChIInChI=1S/C24H21ClN4O4S2.5C21H16ClN3O4S2.O2S/c25-21-6-8-23(34-21)35(32,33)14-18(30)11-16-3-7-22(26-13-16)29-15-27-20-12-17(28-9-1-2-10-28)4-5-19(20)24(29)31;4*1-13-2-4-17-16(8-13)21(27)25(12-24-17)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;1-13-2-4-16-17(8-13)24-12-25(21(16)27)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;1-3-2/h3-8,12-13,15H,1-2,9-11,14H2;5*2-8,10,12H,9,11H2,1H3;
InChIKeyGEZMHXRFHICBAH-UHFFFAOYSA-N
MW2962.92 g/mol
LogP19.96
Rot. Bonds37

About tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide

tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide (PubChem CID 158236237) has the molecular formula C129H101Cl6N19O26S13 and a molecular weight of 2962.92 g/mol. Its IUPAC name is tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide.

Molecular Properties

Compound Nametetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
PubChem CID158236237
Molecular FormulaC129H101Cl6N19O26S13
Molecular Weight2962.92 g/mol
Exact Mass2957.17
IUPAC Nametetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O
InChIInChI=1S/C24H21ClN4O4S2.5C21H16ClN3O4S2.O2S/c25-21-6-8-23(34-21)35(32,33)14-18(30)11-16-3-7-22(26-13-16)29-15-27-20-12-17(28-9-1-2-10-28)4-5-19(20)24(29)31;4*1-13-2-4-17-16(8-13)21(27)25(12-24-17)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;1-13-2-4-16-17(8-13)24-12-25(21(16)27)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;1-3-2/h3-8,12-13,15H,1-2,9-11,14H2;5*2-8,10,12H,9,11H2,1H3;
InChIKeyGEZMHXRFHICBAH-UHFFFAOYSA-N
XLogP19.96
TPSA631.32 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds37
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002962.92
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
The IUPAC name of tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide (CID 158236237) is tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide.
What is the SMILES notation for tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
The canonical SMILES for tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=S=O.
What is the InChIKey of tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
The InChIKey is GEZMHXRFHICBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S2.5C21H16ClN3O4S2.O2S/c25-21-6-8-23(34-21)35(32,33)14-18(30)11-16-3-7-22(26-13-16)29-15-27-20-12-17(28-9-1-2-10-28)4-5-19(20)24(29)31;4*1-13-2-4-17-16(8-13)21(27)25(12-24-17)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;1-13-2-4-16-17(8-13)24-12-25(21(16)27)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;1-3-2/h3-8,12-13,15H,1-2,9-11,14H2;5*2-8,10,12H,9,11H2,1H3;.
What are the key properties of tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide?
tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide has a molecular weight of 2962.92 g/mol, XLogP of 19.96, 37 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide is sourced from PubChem (CID 158236237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).