3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one

C79H78Cl3N15O13S6 — CID 158441411

IUPAC3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
SMILESCc1nc2cc(C3=NCCN3C)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCCN3CCOCC3)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C27H28ClN5O5S2.C27H28ClN5O4S2.C25H22ClN5O4S2/c1-18-31-23-15-20(29-8-9-32-10-12-38-13-11-32)3-4-22(23)27(35)33(18)25-6-2-19(16-30-25)14-21(34)17-40(36,37)26-7-5-24(28)39-26;1-18-31-23-15-20(29-10-13-32-11-2-3-12-32)5-6-22(23)27(35)33(18)25-8-4-19(16-30-25)14-21(34)17-39(36,37)26-9-7-24(28)38-26;1-15-29-20-12-17(24-27-9-10-30(24)2)4-5-19(20)25(33)31(15)22-7-3-16(13-28-22)11-18(32)14-37(34,35)23-8-6-21(26)36-23/h2-7,15-16,29H,8-14,17H2,1H3;4-9,15-16,29H,2-3,10-14,17H2,1H3;3-8,12-13H,9-11,14H2,1-2H3
InChIKeyHCVZZRXKBNZDFO-UHFFFAOYSA-N
MW1744.35 g/mol
LogP10.11
Rot. Bonds27

About 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one

3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one (PubChem CID 158441411) has the molecular formula C79H78Cl3N15O13S6 and a molecular weight of 1744.35 g/mol. Its IUPAC name is 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
PubChem CID158441411
Molecular FormulaC79H78Cl3N15O13S6
Molecular Weight1744.35 g/mol
Exact Mass1741.33
IUPAC Name3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
SMILESCc1nc2cc(C3=NCCN3C)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCCN3CCOCC3)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C27H28ClN5O5S2.C27H28ClN5O4S2.C25H22ClN5O4S2/c1-18-31-23-15-20(29-8-9-32-10-12-38-13-11-32)3-4-22(23)27(35)33(18)25-6-2-19(16-30-25)14-21(34)17-40(36,37)26-7-5-24(28)39-26;1-18-31-23-15-20(29-10-13-32-11-2-3-12-32)5-6-22(23)27(35)33(18)25-8-4-19(16-30-25)14-21(34)17-39(36,37)26-9-7-24(28)38-26;1-15-29-20-12-17(24-27-9-10-30(24)2)4-5-19(20)25(33)31(15)22-7-3-16(13-28-22)11-18(32)14-37(34,35)23-8-6-21(26)36-23/h2-7,15-16,29H,8-14,17H2,1H3;4-9,15-16,29H,2-3,10-14,17H2,1H3;3-8,12-13H,9-11,14H2,1-2H3
InChIKeyHCVZZRXKBNZDFO-UHFFFAOYSA-N
XLogP10.11
TPSA352.34 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.35
LogP ≤ 510.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?
The IUPAC name of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one (CID 158441411) is 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one.
What is the SMILES notation for 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?
The canonical SMILES for 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one is Cc1nc2cc(C3=NCCN3C)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCCN3CCOCC3)ccc2c(=O)n1-c1ccc(CC(=O)CS(=O)(=O)c2ccc(Cl)s2)cn1.
What is the InChIKey of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?
The InChIKey is HCVZZRXKBNZDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O5S2.C27H28ClN5O4S2.C25H22ClN5O4S2/c1-18-31-23-15-20(29-8-9-32-10-12-38-13-11-32)3-4-22(23)27(35)33(18)25-6-2-19(16-30-25)14-21(34)17-40(36,37)26-7-5-24(28)39-26;1-18-31-23-15-20(29-10-13-32-11-2-3-12-32)5-6-22(23)27(35)33(18)25-8-4-19(16-30-25)14-21(34)17-39(36,37)26-9-7-24(28)38-26;1-15-29-20-12-17(24-27-9-10-30(24)2)4-5-19(20)25(33)31(15)22-7-3-16(13-28-22)11-18(32)14-37(34,35)23-8-6-21(26)36-23/h2-7,15-16,29H,8-14,17H2,1H3;4-9,15-16,29H,2-3,10-14,17H2,1H3;3-8,12-13H,9-11,14H2,1-2H3.
What are the key properties of 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one?
3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one has a molecular weight of 1744.35 g/mol, XLogP of 10.11, 27 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one is sourced from PubChem (CID 158441411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).