1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one

C72H64Cl2F3N15O6 — CID 164982742

IUPAC1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one
SMILESCCOc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3nnc(OCC)cc32)cc1.CCOc1ccc2c(c1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)cc4N(c4ccc(Cl)cc4)C3=O)ccc2n1
InChIInChI=1S/C24H19ClF3N5O.C24H21ClN4O2.C24H24N6O3/c1-31-12-16-10-20(8-9-21(16)30-31)32-13-15-2-5-18(29-14-24(26,27)28)11-22(15)33(23(32)34)19-6-3-17(25)4-7-19;1-3-31-21-10-4-16-15-28(20-9-11-22-17(12-20)14-27(2)26-22)24(30)29(23(16)13-21)19-7-5-18(25)6-8-19;1-4-32-19-9-6-17(7-10-19)30-22-13-23(33-5-2)26-25-21(22)15-29(24(30)31)18-8-11-20-16(12-18)14-28(3)27-20/h2-12,29H,13-14H2,1H3;4-14H,3,15H2,1-2H3;6-14H,4-5,15H2,1-3H3
InChIKeyFSLQAXZPQQMPQJ-UHFFFAOYSA-N
MW1363.30 g/mol
LogP16.82
Rot. Bonds14

About 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one

1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one (PubChem CID 164982742) has the molecular formula C72H64Cl2F3N15O6 and a molecular weight of 1363.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one
PubChem CID164982742
Molecular FormulaC72H64Cl2F3N15O6
Molecular Weight1363.30 g/mol
Exact Mass1361.45
IUPAC Name1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one
SMILESCCOc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3nnc(OCC)cc32)cc1.CCOc1ccc2c(c1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)cc4N(c4ccc(Cl)cc4)C3=O)ccc2n1
InChIInChI=1S/C24H19ClF3N5O.C24H21ClN4O2.C24H24N6O3/c1-31-12-16-10-20(8-9-21(16)30-31)32-13-15-2-5-18(29-14-24(26,27)28)11-22(15)33(23(32)34)19-6-3-17(25)4-7-19;1-3-31-21-10-4-16-15-28(20-9-11-22-17(12-20)14-27(2)26-22)24(30)29(23(16)13-21)19-7-5-18(25)6-8-19;1-4-32-19-9-6-17(7-10-19)30-22-13-23(33-5-2)26-25-21(22)15-29(24(30)31)18-8-11-20-16(12-18)14-28(3)27-20/h2-12,29H,13-14H2,1H3;4-14H,3,15H2,1-2H3;6-14H,4-5,15H2,1-3H3
InChIKeyFSLQAXZPQQMPQJ-UHFFFAOYSA-N
XLogP16.82
TPSA189.61 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.30
LogP ≤ 516.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one with MolForge

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Related Compounds

6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one
CID 165004446
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[3,2-d]pyrimidin-2-one;5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-3-(2,2,2-trifluoroethylamino)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one
CID 165078346
1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one
CID 165014372
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one
CID 165102035

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one?
The IUPAC name of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one (CID 164982742) is 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one.
What is the SMILES notation for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one?
The canonical SMILES for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one is CCOc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3nnc(OCC)cc32)cc1.CCOc1ccc2c(c1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)cc4N(c4ccc(Cl)cc4)C3=O)ccc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one?
The InChIKey is FSLQAXZPQQMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O.C24H21ClN4O2.C24H24N6O3/c1-31-12-16-10-20(8-9-21(16)30-31)32-13-15-2-5-18(29-14-24(26,27)28)11-22(15)33(23(32)34)19-6-3-17(25)4-7-19;1-3-31-21-10-4-16-15-28(20-9-11-22-17(12-20)14-27(2)26-22)24(30)29(23(16)13-21)19-7-5-18(25)6-8-19;1-4-32-19-9-6-17(7-10-19)30-22-13-23(33-5-2)26-25-21(22)15-29(24(30)31)18-8-11-20-16(12-18)14-28(3)27-20/h2-12,29H,13-14H2,1H3;4-14H,3,15H2,1-2H3;6-14H,4-5,15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one?
1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one has a molecular weight of 1363.30 g/mol, XLogP of 16.82, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-(4-chlorophenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-quinazolin-2-one;3-ethoxy-5-(4-ethoxyphenyl)-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one is sourced from PubChem (CID 164982742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).