8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline

C89H88ClF3N16O11 — CID 162060969

IUPAC8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline
SMILESCCOc1nc(OC)c2ccc(C)cc2n1.COc1nc(-c2ccccc2)nc2cc(C)ccc12.COc1nc(-n2cccn2)nc2c(Cl)cccc12.COc1nc(C2CC2)nc2cc(C)ccc12.COc1nc(OC)c2ccc(C)cc2n1.COc1nc(OC2CC2)nc2cc(C)ccc12.COc1nc(OCC(F)(F)F)nc2cc(C)ccc12
InChIInChI=1S/C16H14N2O.C13H14N2O2.C13H14N2O.C12H9ClN4O.C12H11F3N2O2.C12H14N2O2.C11H12N2O2/c1-11-8-9-13-14(10-11)17-15(18-16(13)19-2)12-6-4-3-5-7-12;1-8-3-6-10-11(7-8)14-13(15-12(10)16-2)17-9-4-5-9;1-8-3-6-10-11(7-8)14-12(9-4-5-9)15-13(10)16-2;1-18-11-8-4-2-5-9(13)10(8)15-12(16-11)17-7-3-6-14-17;1-7-3-4-8-9(5-7)16-11(17-10(8)18-2)19-6-12(13,14)15;1-4-16-12-13-10-7-8(2)5-6-9(10)11(14-12)15-3;1-7-4-5-8-9(6-7)12-11(15-3)13-10(8)14-2/h3-10H,1-2H3;3,6-7,9H,4-5H2,1-2H3;3,6-7,9H,4-5H2,1-2H3;2-7H,1H3;3-5H,6H2,1-2H3;5-7H,4H2,1-3H3;4-6H,1-3H3
InChIKeyYZVJQZGOOPQCES-UHFFFAOYSA-N
MW1650.23 g/mol
LogP18.59
Rot. Bonds17

About 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline

8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline (PubChem CID 162060969) has the molecular formula C89H88ClF3N16O11 and a molecular weight of 1650.23 g/mol. Its IUPAC name is 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline.

Molecular Properties

Compound Name8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline
PubChem CID162060969
Molecular FormulaC89H88ClF3N16O11
Molecular Weight1650.23 g/mol
Exact Mass1648.65
IUPAC Name8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline
SMILESCCOc1nc(OC)c2ccc(C)cc2n1.COc1nc(-c2ccccc2)nc2cc(C)ccc12.COc1nc(-n2cccn2)nc2c(Cl)cccc12.COc1nc(C2CC2)nc2cc(C)ccc12.COc1nc(OC)c2ccc(C)cc2n1.COc1nc(OC2CC2)nc2cc(C)ccc12.COc1nc(OCC(F)(F)F)nc2cc(C)ccc12
InChIInChI=1S/C16H14N2O.C13H14N2O2.C13H14N2O.C12H9ClN4O.C12H11F3N2O2.C12H14N2O2.C11H12N2O2/c1-11-8-9-13-14(10-11)17-15(18-16(13)19-2)12-6-4-3-5-7-12;1-8-3-6-10-11(7-8)14-13(15-12(10)16-2)17-9-4-5-9;1-8-3-6-10-11(7-8)14-12(9-4-5-9)15-13(10)16-2;1-18-11-8-4-2-5-9(13)10(8)15-12(16-11)17-7-3-6-14-17;1-7-3-4-8-9(5-7)16-11(17-10(8)18-2)19-6-12(13,14)15;1-4-16-12-13-10-7-8(2)5-6-9(10)11(14-12)15-3;1-7-4-5-8-9(6-7)12-11(15-3)13-10(8)14-2/h3-10H,1-2H3;3,6-7,9H,4-5H2,1-2H3;3,6-7,9H,4-5H2,1-2H3;2-7H,1H3;3-5H,6H2,1-2H3;5-7H,4H2,1-3H3;4-6H,1-3H3
InChIKeyYZVJQZGOOPQCES-UHFFFAOYSA-N
XLogP18.59
TPSA299.81 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001650.23
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline?
The IUPAC name of 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline (CID 162060969) is 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline.
What is the SMILES notation for 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline?
The canonical SMILES for 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline is CCOc1nc(OC)c2ccc(C)cc2n1.COc1nc(-c2ccccc2)nc2cc(C)ccc12.COc1nc(-n2cccn2)nc2c(Cl)cccc12.COc1nc(C2CC2)nc2cc(C)ccc12.COc1nc(OC)c2ccc(C)cc2n1.COc1nc(OC2CC2)nc2cc(C)ccc12.COc1nc(OCC(F)(F)F)nc2cc(C)ccc12.
What is the InChIKey of 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline?
The InChIKey is YZVJQZGOOPQCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C13H14N2O2.C13H14N2O.C12H9ClN4O.C12H11F3N2O2.C12H14N2O2.C11H12N2O2/c1-11-8-9-13-14(10-11)17-15(18-16(13)19-2)12-6-4-3-5-7-12;1-8-3-6-10-11(7-8)14-13(15-12(10)16-2)17-9-4-5-9;1-8-3-6-10-11(7-8)14-12(9-4-5-9)15-13(10)16-2;1-18-11-8-4-2-5-9(13)10(8)15-12(16-11)17-7-3-6-14-17;1-7-3-4-8-9(5-7)16-11(17-10(8)18-2)19-6-12(13,14)15;1-4-16-12-13-10-7-8(2)5-6-9(10)11(14-12)15-3;1-7-4-5-8-9(6-7)12-11(15-3)13-10(8)14-2/h3-10H,1-2H3;3,6-7,9H,4-5H2,1-2H3;3,6-7,9H,4-5H2,1-2H3;2-7H,1H3;3-5H,6H2,1-2H3;5-7H,4H2,1-3H3;4-6H,1-3H3.
What are the key properties of 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline?
8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline has a molecular weight of 1650.23 g/mol, XLogP of 18.59, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methoxy-2-pyrazol-1-ylquinazoline;2-cyclopropyl-4-methoxy-7-methylquinazoline;2-cyclopropyloxy-4-methoxy-7-methylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;4-methoxy-7-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline is sourced from PubChem (CID 162060969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).