8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine

C96H115Cl3N14O12S — CID 161435822

IUPAC8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine
SMILESCC(C)C.CC(C)Nc1nc(-c2cc(=O)c3cccc(Cl)c3[nH]2)cs1.CC(C)Oc1ccnc2c(Cl)cccc12.CC(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)On1nnc2ccccc21.CCOc1cc2ccccc2c(OC(C)C)n1.COc1ccc2c(OC(C)C)cnnc2c1.COc1ccc2c(OC(C)C)ncnc2c1Cl
InChIInChI=1S/C18H24N2O3.C15H14ClN3OS.C14H17NO2.C12H13ClN2O2.C12H12ClNO.C12H14N2O2.C9H11N3O.C4H10/c1-14(2)23-18-17-4-3-16(13-15(17)5-6-19-18)22-12-9-20-7-10-21-11-8-20;1-8(2)17-15-19-12(7-21-15)11-6-13(20)9-4-3-5-10(16)14(9)18-11;1-4-16-13-9-11-7-5-6-8-12(11)14(15-13)17-10(2)3;1-7(2)17-12-8-4-5-9(16-3)10(13)11(8)14-6-15-12;1-8(2)15-11-6-7-14-12-9(11)4-3-5-10(12)13;1-8(2)16-12-7-13-14-11-6-9(15-3)4-5-10(11)12;1-7(2)13-12-9-6-4-3-5-8(9)10-11-12;1-4(2)3/h3-6,13-14H,7-12H2,1-2H3;3-8H,1-2H3,(H,17,19)(H,18,20);5-10H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4H,1-3H3
InChIKeyVYQAXRVYUWTJCU-UHFFFAOYSA-N
MW1795.49 g/mol
LogP22.39
Rot. Bonds23

About 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine

8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine (PubChem CID 161435822) has the molecular formula C96H115Cl3N14O12S and a molecular weight of 1795.49 g/mol. Its IUPAC name is 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine
PubChem CID161435822
Molecular FormulaC96H115Cl3N14O12S
Molecular Weight1795.49 g/mol
Exact Mass1792.76
IUPAC Name8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine
SMILESCC(C)C.CC(C)Nc1nc(-c2cc(=O)c3cccc(Cl)c3[nH]2)cs1.CC(C)Oc1ccnc2c(Cl)cccc12.CC(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)On1nnc2ccccc21.CCOc1cc2ccccc2c(OC(C)C)n1.COc1ccc2c(OC(C)C)cnnc2c1.COc1ccc2c(OC(C)C)ncnc2c1Cl
InChIInChI=1S/C18H24N2O3.C15H14ClN3OS.C14H17NO2.C12H13ClN2O2.C12H12ClNO.C12H14N2O2.C9H11N3O.C4H10/c1-14(2)23-18-17-4-3-16(13-15(17)5-6-19-18)22-12-9-20-7-10-21-11-8-20;1-8(2)17-15-19-12(7-21-15)11-6-13(20)9-4-3-5-10(16)14(9)18-11;1-4-16-13-9-11-7-5-6-8-12(11)14(15-13)17-10(2)3;1-7(2)17-12-8-4-5-9(16-3)10(13)11(8)14-6-15-12;1-8(2)15-11-6-7-14-12-9(11)4-3-5-10(12)13;1-8(2)16-12-7-13-14-11-6-9(15-3)4-5-10(11)12;1-7(2)13-12-9-6-4-3-5-8(9)10-11-12;1-4(2)3/h3-6,13-14H,7-12H2,1-2H3;3-8H,1-2H3,(H,17,19)(H,18,20);5-10H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4H,1-3H3
InChIKeyVYQAXRVYUWTJCU-UHFFFAOYSA-N
XLogP22.39
TPSA283.49 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.49
LogP ≤ 522.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine?
The IUPAC name of 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine (CID 161435822) is 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine.
What is the SMILES notation for 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine?
The canonical SMILES for 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine is CC(C)C.CC(C)Nc1nc(-c2cc(=O)c3cccc(Cl)c3[nH]2)cs1.CC(C)Oc1ccnc2c(Cl)cccc12.CC(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)On1nnc2ccccc21.CCOc1cc2ccccc2c(OC(C)C)n1.COc1ccc2c(OC(C)C)cnnc2c1.COc1ccc2c(OC(C)C)ncnc2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine?
The InChIKey is VYQAXRVYUWTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.C15H14ClN3OS.C14H17NO2.C12H13ClN2O2.C12H12ClNO.C12H14N2O2.C9H11N3O.C4H10/c1-14(2)23-18-17-4-3-16(13-15(17)5-6-19-18)22-12-9-20-7-10-21-11-8-20;1-8(2)17-15-19-12(7-21-15)11-6-13(20)9-4-3-5-10(16)14(9)18-11;1-4-16-13-9-11-7-5-6-8-12(11)14(15-13)17-10(2)3;1-7(2)17-12-8-4-5-9(16-3)10(13)11(8)14-6-15-12;1-8(2)15-11-6-7-14-12-9(11)4-3-5-10(12)13;1-8(2)16-12-7-13-14-11-6-9(15-3)4-5-10(11)12;1-7(2)13-12-9-6-4-3-5-8(9)10-11-12;1-4(2)3/h3-6,13-14H,7-12H2,1-2H3;3-8H,1-2H3,(H,17,19)(H,18,20);5-10H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4H,1-3H3.
What are the key properties of 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine?
8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine has a molecular weight of 1795.49 g/mol, XLogP of 22.39, 23 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-4-propan-2-yloxyquinazoline;8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-4-propan-2-yloxyquinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;7-methoxy-4-propan-2-yloxycinnoline;2-methylpropane;1-propan-2-yloxybenzotriazole;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine is sourced from PubChem (CID 161435822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).