6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine

C122H104F3N29O8S — CID 159276872

IUPAC6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3cccc(Cn4ccnc4)c3)nc2cc1OCCc1cnccn1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(NC)nc1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(OC)nc1.OC[C@H]1C[C@@H](Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CCN1.c1cc(CN2CCOCC2)cc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)c1
InChIInChI=1S/C27H26N8O2.C26H21N7O.C23H22FN5O2S.C23H18FN5O.C23H17FN4O2/c1-2-19(17-35-8-10-36-11-9-35)12-21(3-1)32-27-30-15-20-13-23(24-4-5-31-34-24)26(14-25(20)33-27)37-18-22-16-28-6-7-29-22;1-2-20-13-21-15-30-26(31-22-5-3-4-19(12-22)17-33-10-9-28-18-33)32-24(21)14-25(20)34-11-6-23-16-27-7-8-29-23;24-15-2-1-3-16(9-15)28-23-27-12-14-8-19(22-26-6-7-32-22)21(11-20(14)29-23)31-18-4-5-25-17(10-18)13-30;1-3-16-9-17-13-27-23(28-19-6-4-5-18(24)10-19)29-20(17)11-21(16)30-14-15-7-8-22(25-2)26-12-15;1-3-16-9-17-13-26-23(27-19-6-4-5-18(24)10-19)28-20(17)11-21(16)30-14-15-7-8-22(29-2)25-12-15/h1-7,12-16H,8-11,17-18H2,(H,31,34)(H,30,32,33);1,3-5,7-10,12-16,18H,6,11,17H2,(H,30,31,32);1-3,6-9,11-12,17-18,25,30H,4-5,10,13H2,(H,27,28,29);1,4-13H,14H2,2H3,(H,25,26)(H,27,28,29);1,4-13H,14H2,2H3,(H,26,27,28)/t;;17-,18+;;/m..1../s1
InChIKeyKYKNUGQQZFFUCD-KFPOUBTKSA-N
MW2193.43 g/mol
LogP21.09
Rot. Bonds34

About 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine

6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine (PubChem CID 159276872) has the molecular formula C122H104F3N29O8S and a molecular weight of 2193.43 g/mol. Its IUPAC name is 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine
PubChem CID159276872
Molecular FormulaC122H104F3N29O8S
Molecular Weight2193.43 g/mol
Exact Mass2191.83
IUPAC Name6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3cccc(Cn4ccnc4)c3)nc2cc1OCCc1cnccn1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(NC)nc1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(OC)nc1.OC[C@H]1C[C@@H](Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CCN1.c1cc(CN2CCOCC2)cc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)c1
InChIInChI=1S/C27H26N8O2.C26H21N7O.C23H22FN5O2S.C23H18FN5O.C23H17FN4O2/c1-2-19(17-35-8-10-36-11-9-35)12-21(3-1)32-27-30-15-20-13-23(24-4-5-31-34-24)26(14-25(20)33-27)37-18-22-16-28-6-7-29-22;1-2-20-13-21-15-30-26(31-22-5-3-4-19(12-22)17-33-10-9-28-18-33)32-24(21)14-25(20)34-11-6-23-16-27-7-8-29-23;24-15-2-1-3-16(9-15)28-23-27-12-14-8-19(22-26-6-7-32-22)21(11-20(14)29-23)31-18-4-5-25-17(10-18)13-30;1-3-16-9-17-13-27-23(28-19-6-4-5-18(24)10-19)29-20(17)11-21(16)30-14-15-7-8-22(25-2)26-12-15;1-3-16-9-17-13-26-23(27-19-6-4-5-18(24)10-19)28-20(17)11-21(16)30-14-15-7-8-22(29-2)25-12-15/h1-7,12-16H,8-11,17-18H2,(H,31,34)(H,30,32,33);1,3-5,7-10,12-16,18H,6,11,17H2,(H,30,31,32);1-3,6-9,11-12,17-18,25,30H,4-5,10,13H2,(H,27,28,29);1,4-13H,14H2,2H3,(H,25,26)(H,27,28,29);1,4-13H,14H2,2H3,(H,26,27,28)/t;;17-,18+;;/m..1../s1
InChIKeyKYKNUGQQZFFUCD-KFPOUBTKSA-N
XLogP21.09
TPSA437.92 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002193.43
LogP ≤ 521.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
The IUPAC name of 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine (CID 159276872) is 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
The canonical SMILES for 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine is C#Cc1cc2cnc(Nc3cccc(Cn4ccnc4)c3)nc2cc1OCCc1cnccn1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(NC)nc1.C#Cc1cc2cnc(Nc3cccc(F)c3)nc2cc1OCc1ccc(OC)nc1.OC[C@H]1C[C@@H](Oc2cc3nc(Nc4cccc(F)c4)ncc3cc2-c2nccs2)CCN1.c1cc(CN2CCOCC2)cc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)c1.
What is the InChIKey of 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
The InChIKey is KYKNUGQQZFFUCD-KFPOUBTKSA-N. The full InChI is InChI=1S/C27H26N8O2.C26H21N7O.C23H22FN5O2S.C23H18FN5O.C23H17FN4O2/c1-2-19(17-35-8-10-36-11-9-35)12-21(3-1)32-27-30-15-20-13-23(24-4-5-31-34-24)26(14-25(20)33-27)37-18-22-16-28-6-7-29-22;1-2-20-13-21-15-30-26(31-22-5-3-4-19(12-22)17-33-10-9-28-18-33)32-24(21)14-25(20)34-11-6-23-16-27-7-8-29-23;24-15-2-1-3-16(9-15)28-23-27-12-14-8-19(22-26-6-7-32-22)21(11-20(14)29-23)31-18-4-5-25-17(10-18)13-30;1-3-16-9-17-13-27-23(28-19-6-4-5-18(24)10-19)29-20(17)11-21(16)30-14-15-7-8-22(25-2)26-12-15;1-3-16-9-17-13-26-23(27-19-6-4-5-18(24)10-19)28-20(17)11-21(16)30-14-15-7-8-22(29-2)25-12-15/h1-7,12-16H,8-11,17-18H2,(H,31,34)(H,30,32,33);1,3-5,7-10,12-16,18H,6,11,17H2,(H,30,31,32);1-3,6-9,11-12,17-18,25,30H,4-5,10,13H2,(H,27,28,29);1,4-13H,14H2,2H3,(H,25,26)(H,27,28,29);1,4-13H,14H2,2H3,(H,26,27,28)/t;;17-,18+;;/m..1../s1.
What are the key properties of 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine?
6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine has a molecular weight of 2193.43 g/mol, XLogP of 21.09, 34 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-N-(3-fluorophenyl)-7-[(6-methoxy-3-pyridinyl)methoxy]quinazolin-2-amine;6-ethynyl-N-(3-fluorophenyl)-7-[[6-(methylamino)-3-pyridinyl]methoxy]quinazolin-2-amine;6-ethynyl-N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;[(2R,4S)-4-[2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidin-2-yl]methanol;N-[3-(morpholin-4-ylmethyl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 159276872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).