1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C114H122Cl4F6N26O7 — CID 158236147

IUPAC1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2nc(C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC3CCN(C(C)(C)C)CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC3CN(C(C)C)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C33H37ClFN9O.C32H38ClFN8O.C27H28ClF2N5O3.C22H19ClF2N4O2/c1-3-27(45)42-12-14-43(15-13-42)32-23-16-25(34)29(28-20(2)4-7-26-24(28)17-36-39-26)30(35)31(23)37-33(38-32)44-18-22(19-44)41-10-8-40(9-11-41)21-5-6-21;1-6-25(43)40-13-15-41(16-14-40)30-21-17-23(33)27(26-19(2)7-8-24-22(26)18-35-39-24)28(34)29(21)37-31(38-30)36-20-9-11-42(12-10-20)32(3,4)5;1-4-21(37)33-8-10-34(11-9-33)26-17-12-18(28)22(23-19(29)6-5-7-20(23)36)24(30)25(17)31-27(32-26)38-16-13-35(14-16)15(2)3;1-3-17(31)28-7-9-29(10-8-28)22-13-11-14(23)18(19-15(24)5-4-6-16(19)30)20(25)21(13)26-12(2)27-22/h3-4,7,16-17,21-22H,1,5-6,8-15,18-19H2,2H3,(H,36,39);6-8,17-18,20H,1,9-16H2,2-5H3,(H,35,39)(H,36,37,38);4-7,12,15-16,36H,1,8-11,13-14H2,2-3H3;3-6,11,30H,1,7-10H2,2H3
InChIKeyGEZGFCISUCJSMI-UHFFFAOYSA-N
MW2224.20 g/mol
LogP18.18
Rot. Bonds20

About 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 158236147) has the molecular formula C114H122Cl4F6N26O7 and a molecular weight of 2224.20 g/mol. Its IUPAC name is 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
PubChem CID158236147
Molecular FormulaC114H122Cl4F6N26O7
Molecular Weight2224.20 g/mol
Exact Mass2220.86
IUPAC Name1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2nc(C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC3CCN(C(C)(C)C)CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC3CN(C(C)C)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C33H37ClFN9O.C32H38ClFN8O.C27H28ClF2N5O3.C22H19ClF2N4O2/c1-3-27(45)42-12-14-43(15-13-42)32-23-16-25(34)29(28-20(2)4-7-26-24(28)17-36-39-26)30(35)31(23)37-33(38-32)44-18-22(19-44)41-10-8-40(9-11-41)21-5-6-21;1-6-25(43)40-13-15-41(16-14-40)30-21-17-23(33)27(26-19(2)7-8-24-22(26)18-35-39-24)28(34)29(21)37-31(38-30)36-20-9-11-42(12-10-20)32(3,4)5;1-4-21(37)33-8-10-34(11-9-33)26-17-12-18(28)22(23-19(29)6-5-7-20(23)36)24(30)25(17)31-27(32-26)38-16-13-35(14-16)15(2)3;1-3-17(31)28-7-9-29(10-8-28)22-13-11-14(23)18(19-15(24)5-4-6-16(19)30)20(25)21(13)26-12(2)27-22/h3-4,7,16-17,21-22H,1,5-6,8-15,18-19H2,2H3,(H,36,39);6-8,17-18,20H,1,9-16H2,2-5H3,(H,35,39)(H,36,37,38);4-7,12,15-16,36H,1,8-11,13-14H2,2-3H3;3-6,11,30H,1,7-10H2,2H3
InChIKeyGEZGFCISUCJSMI-UHFFFAOYSA-N
XLogP18.18
TPSA332.60 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002224.20
LogP ≤ 518.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-2-[[1-(2-fluoropropyl)piperidin-4-yl]amino]-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(2-pyrimidin-2-ylethylamino)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 160525833
tert-butyl 4-[6-chloro-2-[(1-cyclopropylpiperidin-4-yl)amino]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazine-1-carboxylate
CID 122602067
1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122601982
1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 158378413
1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-4-yl)methylamino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 137095018
1-[4-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 167613274
1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 137095009
N-[2-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]oxyethyl]acetamide
CID 118019122
1-[(2R)-4-[6-chloro-2-[(1-cyclopropylpiperidin-4-yl)amino]-8-fluoro-7-(6-methyl-1H-indazol-7-yl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 145314725
1-[7-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 155683704
1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122606460
1-[2-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]oxyethyl]pyrrolidin-2-one
CID 122602211

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 158236147) is 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(C)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC3CCN(C(C)(C)C)CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC3CN(C(C)C)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.
What is the InChIKey of 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is GEZGFCISUCJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClFN9O.C32H38ClFN8O.C27H28ClF2N5O3.C22H19ClF2N4O2/c1-3-27(45)42-12-14-43(15-13-42)32-23-16-25(34)29(28-20(2)4-7-26-24(28)17-36-39-26)30(35)31(23)37-33(38-32)44-18-22(19-44)41-10-8-40(9-11-41)21-5-6-21;1-6-25(43)40-13-15-41(16-14-40)30-21-17-23(33)27(26-19(2)7-8-24-22(26)18-35-39-24)28(34)29(21)37-31(38-30)36-20-9-11-42(12-10-20)32(3,4)5;1-4-21(37)33-8-10-34(11-9-33)26-17-12-18(28)22(23-19(29)6-5-7-20(23)36)24(30)25(17)31-27(32-26)38-16-13-35(14-16)15(2)3;1-3-17(31)28-7-9-29(10-8-28)22-13-11-14(23)18(19-15(24)5-4-6-16(19)30)20(25)21(13)26-12(2)27-22/h3-4,7,16-17,21-22H,1,5-6,8-15,18-19H2,2H3,(H,36,39);6-8,17-18,20H,1,9-16H2,2-5H3,(H,35,39)(H,36,37,38);4-7,12,15-16,36H,1,8-11,13-14H2,2-3H3;3-6,11,30H,1,7-10H2,2H3.
What are the key properties of 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2224.20 g/mol, XLogP of 18.18, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(1-tert-butylpiperidin-4-yl)amino]-6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158236147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).