N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

C110H107ClN28O9 — CID 158709169

IUPACN-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESC#Cc1ccc2nc(Nc3cc(OCCN)cc(-c4cnn(C)c4)c3)ncc2c1Cl.C#Cc1ccc2nc(Nc3cc(OCCNC(=O)[C@@H]4CCCCN4C(=O)OC(C)(C)C)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc3cnc(Nc4cccc(N5CCCC5=O)c4)nc3cc2OCc2cnccn2)cn1.c1cncc(COc2cc3nc(Nc4cccc(CN5CCOCC5)c4)ncc3cc2-c2ccn[nH]2)c1
InChIInChI=1S/C33H37N7O4.C28H27N7O2.C27H24N8O2.C22H19ClN6O/c1-6-22-10-11-28-24(15-22)19-35-31(38-28)37-26-16-23(25-20-36-39(5)21-25)17-27(18-26)43-14-12-34-30(41)29-9-7-8-13-40(29)32(42)44-33(2,3)4;1-3-20(18-35-9-11-36-12-10-35)13-23(5-1)32-28-30-17-22-14-24(25-6-8-31-34-25)27(15-26(22)33-28)37-19-21-4-2-7-29-16-21;1-34-16-19(14-31-34)23-10-18-13-30-27(32-20-4-2-5-22(11-20)35-9-3-6-26(35)36)33-24(18)12-25(23)37-17-21-15-28-7-8-29-21;1-3-14-4-5-20-19(21(14)23)12-25-22(28-20)27-17-8-15(16-11-26-29(2)13-16)9-18(10-17)30-7-6-24/h1,10-11,15-21,29H,7-9,12-14H2,2-5H3,(H,34,41)(H,35,37,38);1-8,13-17H,9-12,18-19H2,(H,31,34)(H,30,32,33);2,4-5,7-8,10-16H,3,6,9,17H2,1H3,(H,30,32,33);1,4-5,8-13H,6-7,24H2,2H3,(H,25,27,28)/t29-;;;/m0.../s1
InChIKeyIIMQZFXKRSWSSO-VYEUTZPBSA-N
MW2000.71 g/mol
LogP17.63
Rot. Bonds29

About N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 158709169) has the molecular formula C110H107ClN28O9 and a molecular weight of 2000.71 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
PubChem CID158709169
Molecular FormulaC110H107ClN28O9
Molecular Weight2000.71 g/mol
Exact Mass1998.85
IUPAC NameN-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESC#Cc1ccc2nc(Nc3cc(OCCN)cc(-c4cnn(C)c4)c3)ncc2c1Cl.C#Cc1ccc2nc(Nc3cc(OCCNC(=O)[C@@H]4CCCCN4C(=O)OC(C)(C)C)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc3cnc(Nc4cccc(N5CCCC5=O)c4)nc3cc2OCc2cnccn2)cn1.c1cncc(COc2cc3nc(Nc4cccc(CN5CCOCC5)c4)ncc3cc2-c2ccn[nH]2)c1
InChIInChI=1S/C33H37N7O4.C28H27N7O2.C27H24N8O2.C22H19ClN6O/c1-6-22-10-11-28-24(15-22)19-35-31(38-28)37-26-16-23(25-20-36-39(5)21-25)17-27(18-26)43-14-12-34-30(41)29-9-7-8-13-40(29)32(42)44-33(2,3)4;1-3-20(18-35-9-11-36-12-10-35)13-23(5-1)32-28-30-17-22-14-24(25-6-8-31-34-25)27(15-26(22)33-28)37-19-21-4-2-7-29-16-21;1-34-16-19(14-31-34)23-10-18-13-30-27(32-20-4-2-5-22(11-20)35-9-3-6-26(35)36)33-24(18)12-25(23)37-17-21-15-28-7-8-29-21;1-3-14-4-5-20-19(21(14)23)12-25-22(28-20)27-17-8-15(16-11-26-29(2)13-16)9-18(10-17)30-7-6-24/h1,10-11,15-21,29H,7-9,12-14H2,2-5H3,(H,34,41)(H,35,37,38);1-8,13-17H,9-12,18-19H2,(H,31,34)(H,30,32,33);2,4-5,7-8,10-16H,3,6,9,17H2,1H3,(H,30,32,33);1,4-5,8-13H,6-7,24H2,2H3,(H,25,27,28)/t29-;;;/m0.../s1
InChIKeyIIMQZFXKRSWSSO-VYEUTZPBSA-N
XLogP17.63
TPSA426.41 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.71
LogP ≤ 517.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine with MolForge

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Related Compounds

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
CID 158716094
6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
CID 59325650
2-[ethyl(propyl)amino]-N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 143913303
4-[[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]methyl]-1-methylpiperazin-2-one
CID 59325561
6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine
CID 59325665
tert-butyl N-[(2R)-1-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67081912
2-[2-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)anilino]quinazolin-6-yl]ethynyl-dimethylsulfanium
CID 163615966
6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine
CID 59325523
2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetonitrile
CID 59325656
tert-butyl 2-[3-(morpholin-4-ylmethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 170324699
N-(3-morpholin-4-ylpropyl)-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199564
tert-butyl (2S)-2-[2-[1-(benzenesulfonyl)-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 151220071

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (CID 158709169) is N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is C#Cc1ccc2nc(Nc3cc(OCCN)cc(-c4cnn(C)c4)c3)ncc2c1Cl.C#Cc1ccc2nc(Nc3cc(OCCNC(=O)[C@@H]4CCCCN4C(=O)OC(C)(C)C)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc3cnc(Nc4cccc(N5CCCC5=O)c4)nc3cc2OCc2cnccn2)cn1.c1cncc(COc2cc3nc(Nc4cccc(CN5CCOCC5)c4)ncc3cc2-c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is IIMQZFXKRSWSSO-VYEUTZPBSA-N. The full InChI is InChI=1S/C33H37N7O4.C28H27N7O2.C27H24N8O2.C22H19ClN6O/c1-6-22-10-11-28-24(15-22)19-35-31(38-28)37-26-16-23(25-20-36-39(5)21-25)17-27(18-26)43-14-12-34-30(41)29-9-7-8-13-40(29)32(42)44-33(2,3)4;1-3-20(18-35-9-11-36-12-10-35)13-23(5-1)32-28-30-17-22-14-24(25-6-8-31-34-25)27(15-26(22)33-28)37-19-21-4-2-7-29-16-21;1-34-16-19(14-31-34)23-10-18-13-30-27(32-20-4-2-5-22(11-20)35-9-3-6-26(35)36)33-24(18)12-25(23)37-17-21-15-28-7-8-29-21;1-3-14-4-5-20-19(21(14)23)12-25-22(28-20)27-17-8-15(16-11-26-29(2)13-16)9-18(10-17)30-7-6-24/h1,10-11,15-21,29H,7-9,12-14H2,2-5H3,(H,34,41)(H,35,37,38);1-8,13-17H,9-12,18-19H2,(H,31,34)(H,30,32,33);2,4-5,7-8,10-16H,3,6,9,17H2,1H3,(H,30,32,33);1,4-5,8-13H,6-7,24H2,2H3,(H,25,27,28)/t29-;;;/m0.../s1.
What are the key properties of N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 2000.71 g/mol, XLogP of 17.63, 29 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)-5-(1-methylpyrazol-4-yl)phenyl]-5-chloro-6-ethynylquinazolin-2-amine;tert-butyl (2S)-2-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethylcarbamoyl]piperidine-1-carboxylate;1-[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]pyrrolidin-2-one;N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 158709169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).