N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine

C103H96BrN29O8 — CID 158784472

IUPACN-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine
SMILESC#Cc1cc(OC)c2nc(Nc3cc(O[C@H]4CCN(C(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.COc1cc(Br)cc2cnc(Nc3cc(OC4CNC4)cc(-c4cnn(C)c4)c3)nc12.O=C(c1cccc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1.c1cncc(COc2cc3nc(Nc4cccc(Cn5cncn5)c4)ncc3cc2-c2ccn[nH]2)c1
InChIInChI=1S/C28H30N6O2.C27H24N8O3.C26H21N9O.C22H21BrN6O2/c1-6-19-9-21-14-29-28(32-27(21)26(10-19)35-5)31-23-11-20(22-15-30-33(4)16-22)12-25(13-23)36-24-7-8-34(17-24)18(2)3;36-26(35-8-10-37-11-9-35)18-2-1-3-20(12-18)32-27-30-15-19-13-22(23-4-5-31-34-23)25(14-24(19)33-27)38-17-21-16-28-6-7-29-21;1-3-18(14-35-17-28-16-31-35)9-21(5-1)32-26-29-13-20-10-22(23-6-8-30-34-23)25(11-24(20)33-26)36-15-19-4-2-7-27-12-19;1-29-12-15(9-26-29)13-4-17(7-18(5-13)31-19-10-24-11-19)27-22-25-8-14-3-16(23)6-20(30-2)21(14)28-22/h1,9-16,18,24H,7-8,17H2,2-5H3,(H,29,31,32);1-7,12-16H,8-11,17H2,(H,31,34)(H,30,32,33);1-13,16-17H,14-15H2,(H,30,34)(H,29,32,33);3-9,12,19,24H,10-11H2,1-2H3,(H,25,27,28)/t24-;;;/m0.../s1
InChIKeyIRMRIOWEEKAUEJ-VRMKZKMYSA-N
MW1948.00 g/mol
LogP16.50
Rot. Bonds28

About N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine

N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine (PubChem CID 158784472) has the molecular formula C103H96BrN29O8 and a molecular weight of 1948.00 g/mol. Its IUPAC name is N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine
PubChem CID158784472
Molecular FormulaC103H96BrN29O8
Molecular Weight1948.00 g/mol
Exact Mass1945.72
IUPAC NameN-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine
SMILESC#Cc1cc(OC)c2nc(Nc3cc(O[C@H]4CCN(C(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.COc1cc(Br)cc2cnc(Nc3cc(OC4CNC4)cc(-c4cnn(C)c4)c3)nc12.O=C(c1cccc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1.c1cncc(COc2cc3nc(Nc4cccc(Cn5cncn5)c4)ncc3cc2-c2ccn[nH]2)c1
InChIInChI=1S/C28H30N6O2.C27H24N8O3.C26H21N9O.C22H21BrN6O2/c1-6-19-9-21-14-29-28(32-27(21)26(10-19)35-5)31-23-11-20(22-15-30-33(4)16-22)12-25(13-23)36-24-7-8-34(17-24)18(2)3;36-26(35-8-10-37-11-9-35)18-2-1-3-20(12-18)32-27-30-15-19-13-22(23-4-5-31-34-23)25(14-24(19)33-27)38-17-21-16-28-6-7-29-21;1-3-18(14-35-17-28-16-31-35)9-21(5-1)32-26-29-13-20-10-22(23-6-8-30-34-23)25(11-24(20)33-26)36-15-19-4-2-7-27-12-19;1-29-12-15(9-26-29)13-4-17(7-18(5-13)31-19-10-24-11-19)27-22-25-8-14-3-16(23)6-20(30-2)21(14)28-22/h1,9-16,18,24H,7-8,17H2,2-5H3,(H,29,31,32);1-7,12-16H,8-11,17H2,(H,31,34)(H,30,32,33);1-13,16-17H,14-15H2,(H,30,34)(H,29,32,33);3-9,12,19,24H,10-11H2,1-2H3,(H,25,27,28)/t24-;;;/m0.../s1
InChIKeyIRMRIOWEEKAUEJ-VRMKZKMYSA-N
XLogP16.50
TPSA413.81 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.00
LogP ≤ 516.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?
The IUPAC name of N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine (CID 158784472) is N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine.
What is the SMILES notation for N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?
The canonical SMILES for N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine is C#Cc1cc(OC)c2nc(Nc3cc(O[C@H]4CCN(C(C)C)C4)cc(-c4cnn(C)c4)c3)ncc2c1.COc1cc(Br)cc2cnc(Nc3cc(OC4CNC4)cc(-c4cnn(C)c4)c3)nc12.O=C(c1cccc(Nc2ncc3cc(-c4ccn[nH]4)c(OCc4cnccn4)cc3n2)c1)N1CCOCC1.c1cncc(COc2cc3nc(Nc4cccc(Cn5cncn5)c4)ncc3cc2-c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?
The InChIKey is IRMRIOWEEKAUEJ-VRMKZKMYSA-N. The full InChI is InChI=1S/C28H30N6O2.C27H24N8O3.C26H21N9O.C22H21BrN6O2/c1-6-19-9-21-14-29-28(32-27(21)26(10-19)35-5)31-23-11-20(22-15-30-33(4)16-22)12-25(13-23)36-24-7-8-34(17-24)18(2)3;36-26(35-8-10-37-11-9-35)18-2-1-3-20(12-18)32-27-30-15-19-13-22(23-4-5-31-34-23)25(14-24(19)33-27)38-17-21-16-28-6-7-29-21;1-3-18(14-35-17-28-16-31-35)9-21(5-1)32-26-29-13-20-10-22(23-6-8-30-34-23)25(11-24(20)33-26)36-15-19-4-2-7-27-12-19;1-29-12-15(9-26-29)13-4-17(7-18(5-13)31-19-10-24-11-19)27-22-25-8-14-3-16(23)6-20(30-2)21(14)28-22/h1,9-16,18,24H,7-8,17H2,2-5H3,(H,29,31,32);1-7,12-16H,8-11,17H2,(H,31,34)(H,30,32,33);1-13,16-17H,14-15H2,(H,30,34)(H,29,32,33);3-9,12,19,24H,10-11H2,1-2H3,(H,25,27,28)/t24-;;;/m0.../s1.
What are the key properties of N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine?
N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine has a molecular weight of 1948.00 g/mol, XLogP of 16.50, 28 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 158784472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).