6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C118H114ClF2N27O8S — CID 159055529

IUPAC6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3cccc(CNC)c3)nc2cc1OCc1cccnc1.CNC(=O)c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1.Cn1cc(-c2cc(Nc3ncc4cc(Cl)ccc4n3)cc(O[C@@H]3CCNC3)c2)cn1.O=C(c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1)N1CCOCC1.c1cncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)c1
InChIInChI=1S/C27H24N6OS.C24H26FN5O3.C24H21N5O.C22H21ClN6O.C21H22FN5O2/c1-2-19(16-29-9-1)18-3-5-21(6-4-18)32-27-31-17-20-14-23(26-30-12-13-35-26)25(15-24(20)33-27)34-22-7-10-28-11-8-22;25-17-2-1-3-18(13-17)28-24-27-15-16-12-20(23(31)30-8-10-32-11-9-30)22(14-21(16)29-24)33-19-4-6-26-7-5-19;1-3-19-11-20-15-27-24(28-21-8-4-6-17(10-21)13-25-2)29-22(20)12-23(19)30-16-18-7-5-9-26-14-18;1-29-13-16(11-26-29)14-7-18(9-20(8-14)30-19-4-5-24-12-19)27-22-25-10-15-6-17(23)2-3-21(15)28-22;1-23-20(28)17-9-13-12-25-21(26-15-4-2-3-14(22)10-15)27-18(13)11-19(17)29-16-5-7-24-8-6-16/h1-6,9,12-17,22,28H,7-8,10-11H2,(H,31,32,33);1-3,12-15,19,26H,4-11H2,(H,27,28,29);1,4-12,14-15,25H,13,16H2,2H3,(H,27,28,29);2-3,6-11,13,19,24H,4-5,12H2,1H3,(H,25,27,28);2-4,9-12,16,24H,5-8H2,1H3,(H,23,28)(H,25,26,27)/t;;;19-;/m...1./s1
InChIKeyJXUQHYYINCSQKC-RHQRFNAWSA-N
MW2143.91 g/mol
LogP20.02
Rot. Bonds28

About 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 159055529) has the molecular formula C118H114ClF2N27O8S and a molecular weight of 2143.91 g/mol. Its IUPAC name is 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID159055529
Molecular FormulaC118H114ClF2N27O8S
Molecular Weight2143.91 g/mol
Exact Mass2141.87
IUPAC Name6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3cccc(CNC)c3)nc2cc1OCc1cccnc1.CNC(=O)c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1.Cn1cc(-c2cc(Nc3ncc4cc(Cl)ccc4n3)cc(O[C@@H]3CCNC3)c2)cn1.O=C(c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1)N1CCOCC1.c1cncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)c1
InChIInChI=1S/C27H24N6OS.C24H26FN5O3.C24H21N5O.C22H21ClN6O.C21H22FN5O2/c1-2-19(16-29-9-1)18-3-5-21(6-4-18)32-27-31-17-20-14-23(26-30-12-13-35-26)25(15-24(20)33-27)34-22-7-10-28-11-8-22;25-17-2-1-3-18(13-17)28-24-27-15-16-12-20(23(31)30-8-10-32-11-9-30)22(14-21(16)29-24)33-19-4-6-26-7-5-19;1-3-19-11-20-15-27-24(28-21-8-4-6-17(10-21)13-25-2)29-22(20)12-23(19)30-16-18-7-5-9-26-14-18;1-29-13-16(11-26-29)14-7-18(9-20(8-14)30-19-4-5-24-12-19)27-22-25-10-15-6-17(23)2-3-21(15)28-22;1-23-20(28)17-9-13-12-25-21(26-15-4-2-3-14(22)10-15)27-18(13)11-19(17)29-16-5-7-24-8-6-16/h1-6,9,12-17,22,28H,7-8,10-11H2,(H,31,32,33);1-3,12-15,19,26H,4-11H2,(H,27,28,29);1,4-12,14-15,25H,13,16H2,2H3,(H,27,28,29);2-3,6-11,13,19,24H,4-5,12H2,1H3,(H,25,27,28);2-4,9-12,16,24H,5-8H2,1H3,(H,23,28)(H,25,26,27)/t;;;19-;/m...1./s1
InChIKeyJXUQHYYINCSQKC-RHQRFNAWSA-N
XLogP20.02
TPSA410.48 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002143.91
LogP ≤ 520.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 159055529) is 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is C#Cc1cc2cnc(Nc3cccc(CNC)c3)nc2cc1OCc1cccnc1.CNC(=O)c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1.Cn1cc(-c2cc(Nc3ncc4cc(Cl)ccc4n3)cc(O[C@@H]3CCNC3)c2)cn1.O=C(c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1)N1CCOCC1.c1cncc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)c1.
What is the InChIKey of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is JXUQHYYINCSQKC-RHQRFNAWSA-N. The full InChI is InChI=1S/C27H24N6OS.C24H26FN5O3.C24H21N5O.C22H21ClN6O.C21H22FN5O2/c1-2-19(16-29-9-1)18-3-5-21(6-4-18)32-27-31-17-20-14-23(26-30-12-13-35-26)25(15-24(20)33-27)34-22-7-10-28-11-8-22;25-17-2-1-3-18(13-17)28-24-27-15-16-12-20(23(31)30-8-10-32-11-9-30)22(14-21(16)29-24)33-19-4-6-26-7-5-19;1-3-19-11-20-15-27-24(28-21-8-4-6-17(10-21)13-25-2)29-22(20)12-23(19)30-16-18-7-5-9-26-14-18;1-29-13-16(11-26-29)14-7-18(9-20(8-14)30-19-4-5-24-12-19)27-22-25-10-15-6-17(23)2-3-21(15)28-22;1-23-20(28)17-9-13-12-25-21(26-15-4-2-3-14(22)10-15)27-18(13)11-19(17)29-16-5-7-24-8-6-16/h1-6,9,12-17,22,28H,7-8,10-11H2,(H,31,32,33);1-3,12-15,19,26H,4-11H2,(H,27,28,29);1,4-12,14-15,25H,13,16H2,2H3,(H,27,28,29);2-3,6-11,13,19,24H,4-5,12H2,1H3,(H,25,27,28);2-4,9-12,16,24H,5-8H2,1H3,(H,23,28)(H,25,26,27)/t;;;19-;/m...1./s1.
What are the key properties of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 2143.91 g/mol, XLogP of 20.02, 28 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-N-[3-(methylaminomethyl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine;2-(3-fluoroanilino)-N-methyl-7-piperidin-4-yloxyquinazoline-6-carboxamide;[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-morpholin-4-ylmethanone;7-piperidin-4-yloxy-N-(4-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 159055529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).