N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C127H123BrN30O6S2 — CID 161266362

IUPACN-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESBrc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCN(C)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccnc(N)c4)c3)ncc2c1.COc1cncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCN(C)CC5)cc4n3)c2)c1.OCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1
InChIInChI=1S/C29H28N6O2S.C26H27N7.C26H24N6O.C23H21BrN6O.C23H23N5O2S/c1-35-9-6-23(7-10-35)37-27-15-26-21(14-25(27)28-31-8-11-38-28)17-32-29(34-26)33-22-5-3-4-19(12-22)20-13-24(36-2)18-30-16-20;1-4-19-5-6-25-22(11-19)15-27-26(30-25)29-24-13-20(17-33-9-7-31(2)8-10-33)12-21(14-24)23-16-28-32(3)18-23;1-2-18-3-4-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-5-6-28-25(27)15-20;24-20-1-2-22-18(9-20)13-27-23(29-22)28-21-8-16(14-30-3-5-31-6-4-30)7-17(10-21)19-11-25-15-26-12-19;29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18/h3-5,8,11-18,23H,6-7,9-10H2,1-2H3,(H,32,33,34);1,5-6,11-16,18H,7-10,17H2,2-3H3,(H,27,29,30);1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31);1-2,7-13,15H,3-6,14H2,(H,27,28,29);1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28)
InChIKeyVDFWSYRUWAKJML-UHFFFAOYSA-N
MW2309.62 g/mol
LogP21.92
Rot. Bonds28

About N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 161266362) has the molecular formula C127H123BrN30O6S2 and a molecular weight of 2309.62 g/mol. Its IUPAC name is N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID161266362
Molecular FormulaC127H123BrN30O6S2
Molecular Weight2309.62 g/mol
Exact Mass2306.89
IUPAC NameN-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESBrc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCN(C)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccnc(N)c4)c3)ncc2c1.COc1cncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCN(C)CC5)cc4n3)c2)c1.OCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1
InChIInChI=1S/C29H28N6O2S.C26H27N7.C26H24N6O.C23H21BrN6O.C23H23N5O2S/c1-35-9-6-23(7-10-35)37-27-15-26-21(14-25(27)28-31-8-11-38-28)17-32-29(34-26)33-22-5-3-4-19(12-22)20-13-24(36-2)18-30-16-20;1-4-19-5-6-25-22(11-19)15-27-26(30-25)29-24-13-20(17-33-9-7-31(2)8-10-33)12-21(14-24)23-16-28-32(3)18-23;1-2-18-3-4-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-5-6-28-25(27)15-20;24-20-1-2-22-18(9-20)13-27-23(29-22)28-21-8-16(14-30-3-5-31-6-4-30)7-17(10-21)19-11-25-15-26-12-19;29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18/h3-5,8,11-18,23H,6-7,9-10H2,1-2H3,(H,32,33,34);1,5-6,11-16,18H,7-10,17H2,2-3H3,(H,27,29,30);1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31);1-2,7-13,15H,3-6,14H2,(H,27,28,29);1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28)
InChIKeyVDFWSYRUWAKJML-UHFFFAOYSA-N
XLogP21.92
TPSA404.84 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.62
LogP ≤ 521.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 161266362) is N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is Brc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCN(C)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccnc(N)c4)c3)ncc2c1.COc1cncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCN(C)CC5)cc4n3)c2)c1.OCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1.
What is the InChIKey of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is VDFWSYRUWAKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2S.C26H27N7.C26H24N6O.C23H21BrN6O.C23H23N5O2S/c1-35-9-6-23(7-10-35)37-27-15-26-21(14-25(27)28-31-8-11-38-28)17-32-29(34-26)33-22-5-3-4-19(12-22)20-13-24(36-2)18-30-16-20;1-4-19-5-6-25-22(11-19)15-27-26(30-25)29-24-13-20(17-33-9-7-31(2)8-10-33)12-21(14-24)23-16-28-32(3)18-23;1-2-18-3-4-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-5-6-28-25(27)15-20;24-20-1-2-22-18(9-20)13-27-23(29-22)28-21-8-16(14-30-3-5-31-6-4-30)7-17(10-21)19-11-25-15-26-12-19;29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18/h3-5,8,11-18,23H,6-7,9-10H2,1-2H3,(H,32,33,34);1,5-6,11-16,18H,7-10,17H2,2-3H3,(H,27,29,30);1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31);1-2,7-13,15H,3-6,14H2,(H,27,28,29);1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28).
What are the key properties of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 2309.62 g/mol, XLogP of 21.92, 28 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;6-ethynyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-(5-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 161266362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).