N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

C95H92Br3Cl2N25O7 — CID 159869696

IUPACN-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESC#Cc1cc(Cl)c2nc(Nc3cc(OCCNC(C)=O)cc(-c4cnn(C)c4)c3)ncc2c1.CC(=O)NCCOc1cc(Nc2ncc3cc(Br)cc(Cl)c3n2)cc(-c2cnn(C)c2)c1.CC(c1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)N1CCOCC1.COc1cc(Br)cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)cc(-c4cnn(C)c4)c3)nc12
InChIInChI=1S/C25H26BrN7O2.C24H25BrN6O.C24H21ClN6O2.C22H20BrClN6O2/c1-31-4-6-33(7-5-31)24(34)17-8-16(19-14-28-32(2)15-19)10-21(11-17)29-25-27-13-18-9-20(26)12-22(35-3)23(18)30-25;1-16(31-5-7-32-8-6-31)17-9-18(20-14-27-30(2)15-20)12-22(11-17)28-24-26-13-19-10-21(25)3-4-23(19)29-24;1-4-16-7-18-12-27-24(30-23(18)22(25)8-16)29-20-9-17(19-13-28-31(3)14-19)10-21(11-20)33-6-5-26-15(2)32;1-13(31)25-3-4-32-19-7-14(16-11-27-30(2)12-16)6-18(9-19)28-22-26-10-15-5-17(23)8-20(24)21(15)29-22/h8-15H,4-7H2,1-3H3,(H,27,29,30);3-4,9-16H,5-8H2,1-2H3,(H,26,28,29);1,7-14H,5-6H2,2-3H3,(H,26,32)(H,27,29,30);5-12H,3-4H2,1-2H3,(H,25,31)(H,26,28,29)
InChIKeyNSEJIXMSKXCCRV-UHFFFAOYSA-N
MW2006.57 g/mol
LogP17.49
Rot. Bonds24

About N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (PubChem CID 159869696) has the molecular formula C95H92Br3Cl2N25O7 and a molecular weight of 2006.57 g/mol. Its IUPAC name is N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
PubChem CID159869696
Molecular FormulaC95H92Br3Cl2N25O7
Molecular Weight2006.57 g/mol
Exact Mass2001.45
IUPAC NameN-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESC#Cc1cc(Cl)c2nc(Nc3cc(OCCNC(C)=O)cc(-c4cnn(C)c4)c3)ncc2c1.CC(=O)NCCOc1cc(Nc2ncc3cc(Br)cc(Cl)c3n2)cc(-c2cnn(C)c2)c1.CC(c1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)N1CCOCC1.COc1cc(Br)cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)cc(-c4cnn(C)c4)c3)nc12
InChIInChI=1S/C25H26BrN7O2.C24H25BrN6O.C24H21ClN6O2.C22H20BrClN6O2/c1-31-4-6-33(7-5-31)24(34)17-8-16(19-14-28-32(2)15-19)10-21(11-17)29-25-27-13-18-9-20(26)12-22(35-3)23(18)30-25;1-16(31-5-7-32-8-6-31)17-9-18(20-14-27-30(2)15-20)12-22(11-17)28-24-26-13-19-10-21(25)3-4-23(19)29-24;1-4-16-7-18-12-27-24(30-23(18)22(25)8-16)29-20-9-17(19-13-28-31(3)14-19)10-21(11-20)33-6-5-26-15(2)32;1-13(31)25-3-4-32-19-7-14(16-11-27-30(2)12-16)6-18(9-19)28-22-26-10-15-5-17(23)8-20(24)21(15)29-22/h8-15H,4-7H2,1-3H3,(H,27,29,30);3-4,9-16H,5-8H2,1-2H3,(H,26,28,29);1,7-14H,5-6H2,2-3H3,(H,26,32)(H,27,29,30);5-12H,3-4H2,1-2H3,(H,25,31)(H,26,28,29)
InChIKeyNSEJIXMSKXCCRV-UHFFFAOYSA-N
XLogP17.49
TPSA344.43 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.57
LogP ≤ 517.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (CID 159869696) is N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is C#Cc1cc(Cl)c2nc(Nc3cc(OCCNC(C)=O)cc(-c4cnn(C)c4)c3)ncc2c1.CC(=O)NCCOc1cc(Nc2ncc3cc(Br)cc(Cl)c3n2)cc(-c2cnn(C)c2)c1.CC(c1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)N1CCOCC1.COc1cc(Br)cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)cc(-c4cnn(C)c4)c3)nc12.
What is the InChIKey of N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The InChIKey is NSEJIXMSKXCCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN7O2.C24H25BrN6O.C24H21ClN6O2.C22H20BrClN6O2/c1-31-4-6-33(7-5-31)24(34)17-8-16(19-14-28-32(2)15-19)10-21(11-17)29-25-27-13-18-9-20(26)12-22(35-3)23(18)30-25;1-16(31-5-7-32-8-6-31)17-9-18(20-14-27-30(2)15-20)12-22(11-17)28-24-26-13-19-10-21(25)3-4-23(19)29-24;1-4-16-7-18-12-27-24(30-23(18)22(25)8-16)29-20-9-17(19-13-28-31(3)14-19)10-21(11-20)33-6-5-26-15(2)32;1-13(31)25-3-4-32-19-7-14(16-11-27-30(2)12-16)6-18(9-19)28-22-26-10-15-5-17(23)8-20(24)21(15)29-22/h8-15H,4-7H2,1-3H3,(H,27,29,30);3-4,9-16H,5-8H2,1-2H3,(H,26,28,29);1,7-14H,5-6H2,2-3H3,(H,26,32)(H,27,29,30);5-12H,3-4H2,1-2H3,(H,25,31)(H,26,28,29).
What are the key properties of N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide has a molecular weight of 2006.57 g/mol, XLogP of 17.49, 24 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(6-bromo-8-chloroquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide;[3-[(6-bromo-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)phenyl]quinazolin-2-amine;N-[2-[3-[(8-chloro-6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 159869696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).