6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C99H89Br2Cl2N27O6S — CID 157303631

IUPAC6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCC(C)N1CC[C@@H](Oc2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(-c3cnn(C)c3)c2)C1.CN1CC[C@@H](Oc2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(-c3cnn(C)c3)c2)C1.c1cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1.c1cnc(Oc2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)nc1
InChIInChI=1S/C26H23N7O2S.C25H26BrClN6O.C25H18N8O2.C23H22BrClN6O/c1-8-29-26(30-9-1)35-19-4-2-18(3-5-19)32-25-31-16-17-14-21(24-28-12-13-36-24)23(15-22(17)33-25)34-20-6-10-27-11-7-20;1-15(2)33-5-4-21(14-33)34-22-8-16(18-12-29-32(3)13-18)7-20(10-22)30-25-28-11-17-6-19(26)9-23(27)24(17)31-25;1-2-16(24-13-27-15-35-24)6-19(3-1)32-25-29-9-17-7-21(18-10-30-31-11-18)23(8-22(17)33-25)34-14-20-12-26-4-5-28-20;1-30-4-3-19(13-30)32-20-7-14(16-11-27-31(2)12-16)6-18(9-20)28-23-26-10-15-5-17(24)8-21(25)22(15)29-23/h1-5,8-9,12-16,20,27H,6-7,10-11H2,(H,31,32,33);6-13,15,21H,4-5,14H2,1-3H3,(H,28,30,31);1-13,15H,14H2,(H,30,31)(H,29,32,33);5-12,19H,3-4,13H2,1-2H3,(H,26,28,29)/t;21-;;19-/m.1.1/s1
InChIKeyBCEPWBNPXFITJM-HTQOXGGNSA-N
MW2015.76 g/mol
LogP21.32
Rot. Bonds25

About 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 157303631) has the molecular formula C99H89Br2Cl2N27O6S and a molecular weight of 2015.76 g/mol. Its IUPAC name is 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID157303631
Molecular FormulaC99H89Br2Cl2N27O6S
Molecular Weight2015.76 g/mol
Exact Mass2011.50
IUPAC Name6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCC(C)N1CC[C@@H](Oc2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(-c3cnn(C)c3)c2)C1.CN1CC[C@@H](Oc2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(-c3cnn(C)c3)c2)C1.c1cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1.c1cnc(Oc2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)nc1
InChIInChI=1S/C26H23N7O2S.C25H26BrClN6O.C25H18N8O2.C23H22BrClN6O/c1-8-29-26(30-9-1)35-19-4-2-18(3-5-19)32-25-31-16-17-14-21(24-28-12-13-36-24)23(15-22(17)33-25)34-20-6-10-27-11-7-20;1-15(2)33-5-4-21(14-33)34-22-8-16(18-12-29-32(3)13-18)7-20(10-22)30-25-28-11-17-6-19(26)9-23(27)24(17)31-25;1-2-16(24-13-27-15-35-24)6-19(3-1)32-25-29-9-17-7-21(18-10-30-31-11-18)23(8-22(17)33-25)34-14-20-12-26-4-5-28-20;1-30-4-3-19(13-30)32-20-7-14(16-11-27-31(2)12-16)6-18(9-20)28-23-26-10-15-5-17(24)8-21(25)22(15)29-23/h1-5,8-9,12-16,20,27H,6-7,10-11H2,(H,31,32,33);6-13,15,21H,4-5,14H2,1-3H3,(H,28,30,31);1-13,15H,14H2,(H,30,31)(H,29,32,33);5-12,19H,3-4,13H2,1-2H3,(H,26,28,29)/t;21-;;19-/m.1.1/s1
InChIKeyBCEPWBNPXFITJM-HTQOXGGNSA-N
XLogP21.32
TPSA370.70 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002015.76
LogP ≤ 521.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-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-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 157303631) is 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is CC(C)N1CC[C@@H](Oc2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(-c3cnn(C)c3)c2)C1.CN1CC[C@@H](Oc2cc(Nc3ncc4cc(Br)cc(Cl)c4n3)cc(-c3cnn(C)c3)c2)C1.c1cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1.c1cnc(Oc2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)nc1.
What is the InChIKey of 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is BCEPWBNPXFITJM-HTQOXGGNSA-N. The full InChI is InChI=1S/C26H23N7O2S.C25H26BrClN6O.C25H18N8O2.C23H22BrClN6O/c1-8-29-26(30-9-1)35-19-4-2-18(3-5-19)32-25-31-16-17-14-21(24-28-12-13-36-24)23(15-22(17)33-25)34-20-6-10-27-11-7-20;1-15(2)33-5-4-21(14-33)34-22-8-16(18-12-29-32(3)13-18)7-20(10-22)30-25-28-11-17-6-19(26)9-23(27)24(17)31-25;1-2-16(24-13-27-15-35-24)6-19(3-1)32-25-29-9-17-7-21(18-10-30-31-11-18)23(8-22(17)33-25)34-14-20-12-26-4-5-28-20;1-30-4-3-19(13-30)32-20-7-14(16-11-27-31(2)12-16)6-18(9-20)28-23-26-10-15-5-17(24)8-21(25)22(15)29-23/h1-5,8-9,12-16,20,27H,6-7,10-11H2,(H,31,32,33);6-13,15,21H,4-5,14H2,1-3H3,(H,28,30,31);1-13,15H,14H2,(H,30,31)(H,29,32,33);5-12,19H,3-4,13H2,1-2H3,(H,26,28,29)/t;21-;;19-/m.1.1/s1.
What are the key properties of 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 2015.76 g/mol, XLogP of 21.32, 25 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-8-chloro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;7-piperidin-4-yloxy-N-(4-pyrimidin-2-yloxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 157303631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).