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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline

C95H90Cl6F3N13O18 — CID 161236834

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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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(C3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OC3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OCC(F)(F)F)nc2c1Cl.COc1nc(OC)c2ccc(OC)c(Cl)c2n1
InChIInChI=1S/C18H17NO2.C16H13ClN2O2.C13H13ClN2O3.C13H13ClN2O2.C12H10ClF3N2O3.C12H13ClN2O3.C11H11ClN2O3/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;1-17-9-6-5-8-11(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;1-15-7-5-4-6-9(8(7)12)13-11(17-3)14-10(6)16-2/h4-11H,1-3H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,5H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyUZMDSOHVKMTGBC-UHFFFAOYSA-N
MW1971.55 g/mol
LogP22.46
Rot. Bonds24

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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline (PubChem CID 161236834) has the molecular formula C95H90Cl6F3N13O18 and a molecular weight of 1971.55 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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline
PubChem CID161236834
Molecular FormulaC95H90Cl6F3N13O18
Molecular Weight1971.55 g/mol
Exact Mass1967.46
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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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(C3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OC3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OCC(F)(F)F)nc2c1Cl.COc1nc(OC)c2ccc(OC)c(Cl)c2n1
InChIInChI=1S/C18H17NO2.C16H13ClN2O2.C13H13ClN2O3.C13H13ClN2O2.C12H10ClF3N2O3.C12H13ClN2O3.C11H11ClN2O3/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;1-17-9-6-5-8-11(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;1-15-7-5-4-6-9(8(7)12)13-11(17-3)14-10(6)16-2/h4-11H,1-3H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,5H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyUZMDSOHVKMTGBC-UHFFFAOYSA-N
XLogP22.46
TPSA333.71 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.55
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline with MolForge

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Related Compounds

8-Chloro-2-cyclopropyl-4-methoxy-7-methylquinazoline;8-chloro-2-cyclopropyloxy-4-methoxy-7-methylquinazoline;8-chloro-2,4-dimethoxy-7-methylquinazoline;8-chloro-2-ethoxy-4-methoxy-7-methylquinazoline;8-chloro-4-methoxy-7-methyl-2-phenylquinazoline;8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline
CID 157414298
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

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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline (CID 161236834) 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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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(C3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OC3CC3)nc2c1Cl.COc1ccc2c(OC)nc(OCC(F)(F)F)nc2c1Cl.COc1nc(OC)c2ccc(OC)c(Cl)c2n1.
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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline?
The InChIKey is UZMDSOHVKMTGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C16H13ClN2O2.C13H13ClN2O3.C13H13ClN2O2.C12H10ClF3N2O3.C12H13ClN2O3.C11H11ClN2O3/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;1-17-9-6-5-8-11(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;1-15-7-5-4-6-9(8(7)12)13-11(17-3)14-10(6)16-2/h4-11H,1-3H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;3-4H,5H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3.
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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline has a molecular weight of 1971.55 g/mol, XLogP of 22.46, 24 rotatable bonds, 0 hydrogen bond donors, and 31 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-(2,2,2-trifluoroethoxy)quinazoline;8-chloro-2-ethoxy-4,7-dimethoxyquinazoline;8-chloro-2,4,7-trimethoxyquinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline is sourced from PubChem (CID 161236834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).