8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline

C110H99Cl7F6N16O19 — CID 159162974

IUPAC8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline
SMILESCCOc1nc(OC)c2ccc(OC)c(Cl)c2n1.COc1cc2cc(-c3ccccc3)nc(OC)c2cc1C.COc1ccc2c(OC)nc(-c3ccccc3)nc2c1Cl.COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1ccc2c(OC)nc(C3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OC3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OCC(F)(F)F)nc2c1Cl
InChIInChI=1S/C18H17NO2.C16H13ClN2O2.C15H12ClN3O2.C13H13ClN2O3.C13H13ClN2O2.C12H10ClF3N2O3.C12H13ClN2O3.C11H8ClF3N2O2/c1-12-9-15-14(11-17(12)20-2)10-16(19-18(15)21-3)13-7-5-4-6-8-13;1-20-12-9-8-11-14(13(12)17)18-15(19-16(11)21-2)10-6-4-3-5-7-10;1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;1-17-9-6-5-8-11(10(9)14)15-13(16-12(8)18-2)19-7-3-4-7;1-17-9-6-5-8-11(10(9)14)15-12(7-3-4-7)16-13(8)18-2;1-19-7-4-3-6-9(8(7)13)17-11(18-10(6)20-2)21-5-12(14,15)16;1-4-18-12-14-10-7(11(15-12)17-3)5-6-8(16-2)9(10)13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2/h4-11H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,5H2,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3
InChIKeyKKSOUJJOVFXAJE-UHFFFAOYSA-N
MW2311.25 g/mol
LogP26.84
Rot. Bonds26

About 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline

8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline (PubChem CID 159162974) has the molecular formula C110H99Cl7F6N16O19 and a molecular weight of 2311.25 g/mol. Its IUPAC name is 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline.

Molecular Properties

Compound Name8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline
PubChem CID159162974
Molecular FormulaC110H99Cl7F6N16O19
Molecular Weight2311.25 g/mol
Exact Mass2306.50
IUPAC Name8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline
SMILESCCOc1nc(OC)c2ccc(OC)c(Cl)c2n1.COc1cc2cc(-c3ccccc3)nc(OC)c2cc1C.COc1ccc2c(OC)nc(-c3ccccc3)nc2c1Cl.COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1ccc2c(OC)nc(C3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OC3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OCC(F)(F)F)nc2c1Cl
InChIInChI=1S/C18H17NO2.C16H13ClN2O2.C15H12ClN3O2.C13H13ClN2O3.C13H13ClN2O2.C12H10ClF3N2O3.C12H13ClN2O3.C11H8ClF3N2O2/c1-12-9-15-14(11-17(12)20-2)10-16(19-18(15)21-3)13-7-5-4-6-8-13;1-20-12-9-8-11-14(13(12)17)18-15(19-16(11)21-2)10-6-4-3-5-7-10;1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;1-17-9-6-5-8-11(10(9)14)15-13(16-12(8)18-2)19-7-3-4-7;1-17-9-6-5-8-11(10(9)14)15-12(7-3-4-7)16-13(8)18-2;1-19-7-4-3-6-9(8(7)13)17-11(18-10(6)20-2)21-5-12(14,15)16;1-4-18-12-14-10-7(11(15-12)17-3)5-6-8(16-2)9(10)13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2/h4-11H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,5H2,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3
InChIKeyKKSOUJJOVFXAJE-UHFFFAOYSA-N
XLogP26.84
TPSA381.61 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002311.25
LogP ≤ 526.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline?
The IUPAC name of 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline (CID 159162974) is 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline.
What is the SMILES notation for 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline?
The canonical SMILES for 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline is CCOc1nc(OC)c2ccc(OC)c(Cl)c2n1.COc1cc2cc(-c3ccccc3)nc(OC)c2cc1C.COc1ccc2c(OC)nc(-c3ccccc3)nc2c1Cl.COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1ccc2c(OC)nc(C3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OC3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OCC(F)(F)F)nc2c1Cl.
What is the InChIKey of 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline?
The InChIKey is KKSOUJJOVFXAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C16H13ClN2O2.C15H12ClN3O2.C13H13ClN2O3.C13H13ClN2O2.C12H10ClF3N2O3.C12H13ClN2O3.C11H8ClF3N2O2/c1-12-9-15-14(11-17(12)20-2)10-16(19-18(15)21-3)13-7-5-4-6-8-13;1-20-12-9-8-11-14(13(12)17)18-15(19-16(11)21-2)10-6-4-3-5-7-10;1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;1-17-9-6-5-8-11(10(9)14)15-13(16-12(8)18-2)19-7-3-4-7;1-17-9-6-5-8-11(10(9)14)15-12(7-3-4-7)16-13(8)18-2;1-19-7-4-3-6-9(8(7)13)17-11(18-10(6)20-2)21-5-12(14,15)16;1-4-18-12-14-10-7(11(15-12)17-3)5-6-8(16-2)9(10)13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2/h4-11H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,5H2,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3.
What are the key properties of 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline?
8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline has a molecular weight of 2311.25 g/mol, XLogP of 26.84, 26 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopropyl-4,7-dimethoxyquinazoline;8-chloro-2-cyclopropyloxy-4,7-dimethoxyquinazoline;8-chloro-4,7-dimethoxy-2-phenylquinazoline;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline is sourced from PubChem (CID 159162974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).