4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)

C117H128Cl4F3N5O22 — CID 159539617

About 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)

4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one) (PubChem CID 159539617) has the molecular formula C117H128Cl4F3N5O22 and a molecular weight of 2155.13 g/mol. Its IUPAC name is 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one).

Molecular Properties

• Compound Name: 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)
• PubChem CID: 159539617
• Molecular Formula: C117H128Cl4F3N5O22
• Molecular Weight: 2155.13 g/mol
• Exact Mass: 2151.78
• IUPAC Name: 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)
• SMILES: C=C(F)/C(=C\CCl)C1c2c(cc(OC)c(OC)c2OC)NC(=O)N1CCC.C=C1CC(c2cc(Cl)ccc2F)c2c(cc(OC)c(OC)c2OC)N1.C=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)N1C.COc1cc2c(c(OC)c1OC)C(c1ccc(Cl)cc1C)CC(=O)C2.COc1cc2c(c(OC)c1OC)C(c1ccccc1C)CC(=O)C2.COc1cc2c(c(OC)c1OC)C(c1ccccc1C)CC(=O)C2
• InChI: InChI=1S/C20H21ClO4.2C20H22O4.C19H24ClFN2O4.C19H20ClFN2O3.C19H19ClFNO3/c1-11-7-13(21)5-6-15(11)16-10-14(22)8-12-9-17(23-2)19(24-3)20(25-4)18(12)16;2*1-12-7-5-6-8-15(12)16-11-14(21)9-13-10-17(22-2)19(23-3)20(24-4)18(13)16;1-6-9-23-16(12(7-8-20)11(2)21)15-13(22-19(23)24)10-14(25-3)17(26-4)18(15)27-5;1-10-22-14-9-15(24-3)18(25-4)19(26-5)16(14)17(23(10)2)12-8-11(20)6-7-13(12)21;1-10-7-13(12-8-11(20)5-6-14(12)21)17-15(22-10)9-16(23-2)18(24-3)19(17)25-4/h5-7,9,16H,8,10H2,1-4H3;2*5-8,10,16H,9,11H2,1-4H3;7,10,16H,2,6,8-9H2,1,3-5H3,(H,22,24);6-9,17,22H,1H2,2-5H3;5-6,8-9,13,22H,1,7H2,2-4H3/b;;;12-7+
• InChIKey: MEANVHSHKRITQE-KNHYZAEPSA-N
• XLogP: 25.71
• TPSA: 276.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.13
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)?

The IUPAC name of 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one) (CID 159539617) is 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one).

What is the SMILES notation for 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)?

The canonical SMILES for 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one) is C=C(F)/C(=C\CCl)C1c2c(cc(OC)c(OC)c2OC)NC(=O)N1CCC.C=C1CC(c2cc(Cl)ccc2F)c2c(cc(OC)c(OC)c2OC)N1.C=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)N1C.COc1cc2c(c(OC)c1OC)C(c1ccc(Cl)cc1C)CC(=O)C2.COc1cc2c(c(OC)c1OC)C(c1ccccc1C)CC(=O)C2.COc1cc2c(c(OC)c1OC)C(c1ccccc1C)CC(=O)C2.

What is the InChIKey of 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)?

The InChIKey is MEANVHSHKRITQE-KNHYZAEPSA-N. The full InChI is InChI=1S/C20H21ClO4.2C20H22O4.C19H24ClFN2O4.C19H20ClFN2O3.C19H19ClFNO3/c1-11-7-13(21)5-6-15(11)16-10-14(22)8-12-9-17(23-2)19(24-3)20(25-4)18(12)16;2*1-12-7-5-6-8-15(12)16-11-14(21)9-13-10-17(22-2)19(23-3)20(24-4)18(13)16;1-6-9-23-16(12(7-8-20)11(2)21)15-13(22-19(23)24)10-14(25-3)17(26-4)18(15)27-5;1-10-22-14-9-15(24-3)18(25-4)19(26-5)16(14)17(23(10)2)12-8-11(20)6-7-13(12)21;1-10-7-13(12-8-11(20)5-6-14(12)21)17-15(22-10)9-16(23-2)18(24-3)19(17)25-4/h5-7,9,16H,8,10H2,1-4H3;2*5-8,10,16H,9,11H2,1-4H3;7,10,16H,2,6,8-9H2,1,3-5H3,(H,22,24);6-9,17,22H,1H2,2-5H3;5-6,8-9,13,22H,1,7H2,2-4H3/b;;;12-7+;;.

What are the key properties of 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one)?

4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one) has a molecular weight of 2155.13 g/mol, XLogP of 25.71, 28 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3Z)-5-chloro-2-fluoropenta-1,3-dien-3-yl]-5,6,7-trimethoxy-3-propyl-1,4-dihydroquinazolin-2-one;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinoline;4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-1,4-dihydroquinazoline;4-(4-chloro-2-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one;bis(5,6,7-trimethoxy-4-(2-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one) is sourced from PubChem (CID 159539617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).