2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one

C144H165N17O12S5 — CID 159233150

About 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one

2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 159233150) has the molecular formula C144H165N17O12S5 and a molecular weight of 2486.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

• Compound Name: 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one
• PubChem CID: 159233150
• Molecular Formula: C144H165N17O12S5
• Molecular Weight: 2486.35 g/mol
• Exact Mass: 2484.14
• IUPAC Name: 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one
• SMILES: C=CCn1c(NCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.C=CCn1c(OCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.C=CCn1c(SCC(N)=O)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.C=CCn1c(SCCO)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.C=CCn1c(SCCOC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.C=CCn1c(SCCOC)nc2c(c1=O)CC(C)c1ccccc1-2.C=CCn1c(SCc2ccccn2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2
• InChI: InChI=1S/C23H23N3OS.C22H27N3O.C22H26N2O2.C20H24N2O2S.C19H21N3O2S.2C19H22N2O2S/c1-4-13-26-21(27)19-20(18-11-6-5-9-16(18)14-23(19,2)3)25-22(26)28-15-17-10-7-8-12-24-17;1-3-14-25-20(26)18-19(24-21(25)23-4-2)17-11-7-6-10-16(17)15-22(18)12-8-5-9-13-22;1-3-14-24-20(25)18-19(23-21(24)26-4-2)17-11-7-6-10-16(17)15-22(18)12-8-5-9-13-22;1-5-10-22-18(23)16-17(21-19(22)25-12-11-24-4)15-9-7-6-8-14(15)13-20(16,2)3;1-4-9-22-17(24)15-16(21-18(22)25-11-14(20)23)13-8-6-5-7-12(13)10-19(15,2)3;1-4-9-21-17(23)15-16(20-18(21)24-11-10-22)14-8-6-5-7-13(14)12-19(15,2)3;1-4-9-21-18(22)16-12-13(2)14-7-5-6-8-15(14)17(16)20-19(21)24-11-10-23-3/h4-12H,1,13-15H2,2-3H3;3,6-7,10-11H,1,4-5,8-9,12-15H2,2H3,(H,23,24);3,6-7,10-11H,1,4-5,8-9,12-15H2,2H3;5-9H,1,10-13H2,2-4H3;4-8H,1,9-11H2,2-3H3,(H2,20,23);4-8,22H,1,9-12H2,2-3H3;4-8,13H,1,9-12H2,2-3H3
• InChIKey: KTDMWKFSXKSDNQ-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 360.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2486.35
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one?

The IUPAC name of 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one (CID 159233150) is 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one.

What is the SMILES notation for 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one?

The canonical SMILES for 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one is C=CCn1c(NCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.C=CCn1c(OCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.C=CCn1c(SCC(N)=O)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.C=CCn1c(SCCO)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.C=CCn1c(SCCOC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.C=CCn1c(SCCOC)nc2c(c1=O)CC(C)c1ccccc1-2.C=CCn1c(SCc2ccccn2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2.

What is the InChIKey of 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one?

The InChIKey is KTDMWKFSXKSDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS.C22H27N3O.C22H26N2O2.C20H24N2O2S.C19H21N3O2S.2C19H22N2O2S/c1-4-13-26-21(27)19-20(18-11-6-5-9-16(18)14-23(19,2)3)25-22(26)28-15-17-10-7-8-12-24-17;1-3-14-25-20(26)18-19(24-21(25)23-4-2)17-11-7-6-10-16(17)15-22(18)12-8-5-9-13-22;1-3-14-24-20(25)18-19(23-21(24)26-4-2)17-11-7-6-10-16(17)15-22(18)12-8-5-9-13-22;1-5-10-22-18(23)16-17(21-19(22)25-12-11-24-4)15-9-7-6-8-14(15)13-20(16,2)3;1-4-9-22-17(24)15-16(21-18(22)25-11-14(20)23)13-8-6-5-7-12(13)10-19(15,2)3;1-4-9-21-17(23)15-16(20-18(21)24-11-10-22)14-8-6-5-7-13(14)12-19(15,2)3;1-4-9-21-18(22)16-12-13(2)14-7-5-6-8-15(14)17(16)20-19(21)24-11-10-23-3/h4-12H,1,13-15H2,2-3H3;3,6-7,10-11H,1,4-5,8-9,12-15H2,2H3,(H,23,24);3,6-7,10-11H,1,4-5,8-9,12-15H2,2H3;5-9H,1,10-13H2,2-4H3;4-8H,1,9-11H2,2-3H3,(H2,20,23);4-8,22H,1,9-12H2,2-3H3;4-8,13H,1,9-12H2,2-3H3.

What are the key properties of 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one?

2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 2486.35 g/mol, XLogP of 25.84, 35 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetamide;5,5-dimethyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one;2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(ethylamino)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one;2-(2-hydroxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one;2-(2-methoxyethylsulfanyl)-6-methyl-3-prop-2-enyl-5,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 159233150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).