N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C122H107F4N27O6S — CID 159190447

IUPACN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(N(C)C)nc1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(NCCOC)nc1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccc(N)nc4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.Fc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4F)cc3n2)c1
InChIInChI=1S/C26H24N6O.C25H22FN5O2.C25H22N6O.C24H20FN5O.C22H19F2N5OS/c1-2-18-3-5-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-4-6-25(27)28-15-20;1-3-18-11-19-15-29-25(30-21-6-4-5-20(26)12-21)31-22(19)13-23(18)33-16-17-7-8-24(28-14-17)27-9-10-32-2;1-2-18-3-4-24-21(9-18)15-28-25(30-24)29-23-11-19(16-31-5-7-32-8-6-31)10-20(12-23)22-13-26-17-27-14-22;1-4-17-10-18-14-27-24(28-20-7-5-6-19(25)11-20)29-21(18)12-22(17)31-15-16-8-9-23(26-13-16)30(2)3;23-14-2-1-3-15(9-14)28-22-27-11-13-8-16(21-26-6-7-31-21)20(10-18(13)29-22)30-19-4-5-25-12-17(19)24/h1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31);1,4-8,11-15H,9-10,16H2,2H3,(H,27,28)(H,29,30,31);1,3-4,9-15,17H,5-8,16H2,(H,28,29,30);1,5-14H,15H2,2-3H3,(H,27,28,29);1-3,6-11,17,19,25H,4-5,12H2,(H,27,28,29)
InChIKeyKOACDDCLUMEDBB-UHFFFAOYSA-N
MW2155.44 g/mol
LogP21.25
Rot. Bonds30

About N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 159190447) has the molecular formula C122H107F4N27O6S and a molecular weight of 2155.44 g/mol. Its IUPAC name is N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID159190447
Molecular FormulaC122H107F4N27O6S
Molecular Weight2155.44 g/mol
Exact Mass2153.86
IUPAC NameN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(N(C)C)nc1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(NCCOC)nc1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccc(N)nc4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.Fc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4F)cc3n2)c1
InChIInChI=1S/C26H24N6O.C25H22FN5O2.C25H22N6O.C24H20FN5O.C22H19F2N5OS/c1-2-18-3-5-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-4-6-25(27)28-15-20;1-3-18-11-19-15-29-25(30-21-6-4-5-20(26)12-21)31-22(19)13-23(18)33-16-17-7-8-24(28-14-17)27-9-10-32-2;1-2-18-3-4-24-21(9-18)15-28-25(30-24)29-23-11-19(16-31-5-7-32-8-6-31)10-20(12-23)22-13-26-17-27-14-22;1-4-17-10-18-14-27-24(28-20-7-5-6-19(25)11-20)29-21(18)12-22(17)31-15-16-8-9-23(26-13-16)30(2)3;23-14-2-1-3-15(9-14)28-22-27-11-13-8-16(21-26-6-7-31-21)20(10-18(13)29-22)30-19-4-5-25-12-17(19)24/h1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31);1,4-8,11-15H,9-10,16H2,2H3,(H,27,28)(H,29,30,31);1,3-4,9-15,17H,5-8,16H2,(H,28,29,30);1,5-14H,15H2,2-3H3,(H,27,28,29);1-3,6-11,17,19,25H,4-5,12H2,(H,27,28,29)
InChIKeyKOACDDCLUMEDBB-UHFFFAOYSA-N
XLogP21.25
TPSA381.57 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002155.44
LogP ≤ 521.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325390
N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325429
[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol
CID 59325505
N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325610
N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325616
N-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325632
N-(3-fluorophenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine
CID 59325640
7-[1-(2-fluoroethyl)piperidin-4-yl]oxy-N-(3-fluorophenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325644
N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine
CID 67081147
N-(3,5-difluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 67101926
7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)quinazolin-2-amine
CID 67102316
N-[3-methoxy-5-(trifluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 67102704

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 159190447) is N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(N(C)C)nc1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(NCCOC)nc1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccc(N)nc4)c3)ncc2c1.C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.Fc1cccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4F)cc3n2)c1.
What is the InChIKey of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is KOACDDCLUMEDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O.C25H22FN5O2.C25H22N6O.C24H20FN5O.C22H19F2N5OS/c1-2-18-3-5-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-4-6-25(27)28-15-20;1-3-18-11-19-15-29-25(30-21-6-4-5-20(26)12-21)31-22(19)13-23(18)33-16-17-7-8-24(28-14-17)27-9-10-32-2;1-2-18-3-4-24-21(9-18)15-28-25(30-24)29-23-11-19(16-31-5-7-32-8-6-31)10-20(12-23)22-13-26-17-27-14-22;1-4-17-10-18-14-27-24(28-20-7-5-6-19(25)11-20)29-21(18)12-22(17)31-15-16-8-9-23(26-13-16)30(2)3;23-14-2-1-3-15(9-14)28-22-27-11-13-8-16(21-26-6-7-31-21)20(10-18(13)29-22)30-19-4-5-25-12-17(19)24/h1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31);1,4-8,11-15H,9-10,16H2,2H3,(H,27,28)(H,29,30,31);1,3-4,9-15,17H,5-8,16H2,(H,28,29,30);1,5-14H,15H2,2-3H3,(H,27,28,29);1-3,6-11,17,19,25H,4-5,12H2,(H,27,28,29).
What are the key properties of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 2155.44 g/mol, XLogP of 21.25, 30 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine;7-[[6-(dimethylamino)-3-pyridinyl]methoxy]-6-ethynyl-N-(3-fluorophenyl)quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(2-methoxyethylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine;N-(3-fluorophenyl)-7-(3-fluoropiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 159190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).