6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C63H64Br3ClN16O9S3 — CID 158429812

IUPAC6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc3nc(S(C)(=O)=O)ncc3cc2Br)CC1.CCSc1ncc2cc(Br)c(O)cc2n1.COc1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(-n2nnnc2C)c1.COc1cc2nc(Cl)ncc2cc1Br
InChIInChI=1S/C25H25N9O2S.C19H24BrN3O5S.C10H9BrN2OS.C9H6BrClN2O/c1-15-31-32-33-34(15)18-10-17(11-20(12-18)35-2)29-25-28-14-16-9-21(24-27-7-8-37-24)23(13-22(16)30-25)36-19-3-5-26-6-4-19;1-19(2,3)28-18(24)23-7-5-13(6-8-23)27-16-10-15-12(9-14(16)20)11-21-17(22-15)29(4,25)26;1-2-15-10-12-5-6-3-7(11)9(14)4-8(6)13-10;1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7/h7-14,19,26H,3-6H2,1-2H3,(H,28,29,30);9-11,13H,5-8H2,1-4H3;3-5,14H,2H2,1H3;2-4H,1H3
InChIKeyHBNAUVJOUVNUHJ-UHFFFAOYSA-N
MW1560.67 g/mol
LogP13.76
Rot. Bonds13

About 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 158429812) has the molecular formula C63H64Br3ClN16O9S3 and a molecular weight of 1560.67 g/mol. Its IUPAC name is 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID158429812
Molecular FormulaC63H64Br3ClN16O9S3
Molecular Weight1560.67 g/mol
Exact Mass1556.14
IUPAC Name6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc3nc(S(C)(=O)=O)ncc3cc2Br)CC1.CCSc1ncc2cc(Br)c(O)cc2n1.COc1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(-n2nnnc2C)c1.COc1cc2nc(Cl)ncc2cc1Br
InChIInChI=1S/C25H25N9O2S.C19H24BrN3O5S.C10H9BrN2OS.C9H6BrClN2O/c1-15-31-32-33-34(15)18-10-17(11-20(12-18)35-2)29-25-28-14-16-9-21(24-27-7-8-37-24)23(13-22(16)30-25)36-19-3-5-26-6-4-19;1-19(2,3)28-18(24)23-7-5-13(6-8-23)27-16-10-15-12(9-14(16)20)11-21-17(22-15)29(4,25)26;1-2-15-10-12-5-6-3-7(11)9(14)4-8(6)13-10;1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7/h7-14,19,26H,3-6H2,1-2H3,(H,28,29,30);9-11,13H,5-8H2,1-4H3;3-5,14H,2H2,1H3;2-4H,1H3
InChIKeyHBNAUVJOUVNUHJ-UHFFFAOYSA-N
XLogP13.76
TPSA304.50 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.67
LogP ≤ 513.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 158429812) is 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(S(C)(=O)=O)ncc3cc2Br)CC1.CCSc1ncc2cc(Br)c(O)cc2n1.COc1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(-n2nnnc2C)c1.COc1cc2nc(Cl)ncc2cc1Br.
What is the InChIKey of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is HBNAUVJOUVNUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2S.C19H24BrN3O5S.C10H9BrN2OS.C9H6BrClN2O/c1-15-31-32-33-34(15)18-10-17(11-20(12-18)35-2)29-25-28-14-16-9-21(24-27-7-8-37-24)23(13-22(16)30-25)36-19-3-5-26-6-4-19;1-19(2,3)28-18(24)23-7-5-13(6-8-23)27-16-10-15-12(9-14(16)20)11-21-17(22-15)29(4,25)26;1-2-15-10-12-5-6-3-7(11)9(14)4-8(6)13-10;1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7/h7-14,19,26H,3-6H2,1-2H3,(H,28,29,30);9-11,13H,5-8H2,1-4H3;3-5,14H,2H2,1H3;2-4H,1H3.
What are the key properties of 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 1560.67 g/mol, XLogP of 13.76, 13 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 158429812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).