6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one

C112H82Cl7F5N10O20S10 — CID 158335624

IUPAC6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/2C23H18ClFN2O4S2.2C22H15Cl2FN2O4S2.C22H16ClFN2O4S2/c2*1-13-3-5-17-19(9-13)26-14(2)27(23(17)29)20-6-4-15(11-18(20)25)10-16(28)12-33(30,31)22-8-7-21(24)32-22;1-12-26-18-4-3-14(23)10-16(18)22(29)27(12)19-5-2-13(9-17(19)25)8-15(28)11-33(30,31)21-7-6-20(24)32-21;1-12-26-18-10-14(23)3-4-16(18)22(29)27(12)19-5-2-13(9-17(19)25)8-15(28)11-33(30,31)21-7-6-20(24)32-21;1-13-25-18-5-3-2-4-16(18)22(28)26(13)19-7-6-14(11-17(19)24)10-15(27)12-32(29,30)21-9-8-20(23)31-21/h2*3-9,11H,10,12H2,1-2H3;2*2-7,9-10H,8,11H2,1H3;2-9,11H,10,12H2,1H3
InChIKeyGQNUIRRXUANBFN-UHFFFAOYSA-N
MW2551.77 g/mol
LogP22.59
Rot. Bonds30

About 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one

6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one (PubChem CID 158335624) has the molecular formula C112H82Cl7F5N10O20S10 and a molecular weight of 2551.77 g/mol. Its IUPAC name is 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one
PubChem CID158335624
Molecular FormulaC112H82Cl7F5N10O20S10
Molecular Weight2551.77 g/mol
Exact Mass2546.07
IUPAC Name6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/2C23H18ClFN2O4S2.2C22H15Cl2FN2O4S2.C22H16ClFN2O4S2/c2*1-13-3-5-17-19(9-13)26-14(2)27(23(17)29)20-6-4-15(11-18(20)25)10-16(28)12-33(30,31)22-8-7-21(24)32-22;1-12-26-18-4-3-14(23)10-16(18)22(29)27(12)19-5-2-13(9-17(19)25)8-15(28)11-33(30,31)21-7-6-20(24)32-21;1-12-26-18-10-14(23)3-4-16(18)22(29)27(12)19-5-2-13(9-17(19)25)8-15(28)11-33(30,31)21-7-6-20(24)32-21;1-13-25-18-5-3-2-4-16(18)22(28)26(13)19-7-6-14(11-17(19)24)10-15(27)12-32(29,30)21-9-8-20(23)31-21/h2*3-9,11H,10,12H2,1-2H3;2*2-7,9-10H,8,11H2,1H3;2-9,11H,10,12H2,1H3
InChIKeyGQNUIRRXUANBFN-UHFFFAOYSA-N
XLogP22.59
TPSA430.50 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.77
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one?
The IUPAC name of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one (CID 158335624) is 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1.Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2ccccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1F.
What is the InChIKey of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one?
The InChIKey is GQNUIRRXUANBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18ClFN2O4S2.2C22H15Cl2FN2O4S2.C22H16ClFN2O4S2/c2*1-13-3-5-17-19(9-13)26-14(2)27(23(17)29)20-6-4-15(11-18(20)25)10-16(28)12-33(30,31)22-8-7-21(24)32-22;1-12-26-18-4-3-14(23)10-16(18)22(29)27(12)19-5-2-13(9-17(19)25)8-15(28)11-33(30,31)21-7-6-20(24)32-21;1-12-26-18-10-14(23)3-4-16(18)22(29)27(12)19-5-2-13(9-17(19)25)8-15(28)11-33(30,31)21-7-6-20(24)32-21;1-13-25-18-5-3-2-4-16(18)22(28)26(13)19-7-6-14(11-17(19)24)10-15(27)12-32(29,30)21-9-8-20(23)31-21/h2*3-9,11H,10,12H2,1-2H3;2*2-7,9-10H,8,11H2,1H3;2-9,11H,10,12H2,1H3.
What are the key properties of 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one?
6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one has a molecular weight of 2551.77 g/mol, XLogP of 22.59, 30 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;7-chloro-3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one;bis(3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2,7-dimethylquinazolin-4-one);3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 158335624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).