8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine

C78H78BrCl2N15O11S3 — CID 157201748

IUPAC8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc12.Clc1ncc2cccc(Br)c2n1
InChIInChI=1S/C29H34N6O5S.C25H27N5O3S.C16H13ClN2O3S.C8H4BrClN2/c1-29(2,3)40-28(36)34-13-11-21(12-14-34)35-18-20(17-31-35)32-27-30-16-19-7-6-8-24(26(19)33-27)23-10-9-22(41(5,37)38)15-25(23)39-4;1-33-23-13-20(34(2,31)32)11-12-21(23)22-10-6-7-17-14-26-25(29-24(17)22)28-18-15-27-30(16-18)19-8-4-3-5-9-19;1-22-14-8-11(23(2,20)21)6-7-12(14)13-5-3-4-10-9-18-16(17)19-15(10)13;9-6-3-1-2-5-4-11-8(10)12-7(5)6/h6-10,15-18,21H,11-14H2,1-5H3,(H,30,32,33);6-7,10-16,19H,3-5,8-9H2,1-2H3,(H,26,28,29);3-9H,1-2H3;1-4H
InChIKeyAQWLAWQYMUFURQ-UHFFFAOYSA-N
MW1648.59 g/mol
LogP16.78
Rot. Bonds15

About 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine

8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine (PubChem CID 157201748) has the molecular formula C78H78BrCl2N15O11S3 and a molecular weight of 1648.59 g/mol. Its IUPAC name is 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine
PubChem CID157201748
Molecular FormulaC78H78BrCl2N15O11S3
Molecular Weight1648.59 g/mol
Exact Mass1645.37
IUPAC Name8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc12.Clc1ncc2cccc(Br)c2n1
InChIInChI=1S/C29H34N6O5S.C25H27N5O3S.C16H13ClN2O3S.C8H4BrClN2/c1-29(2,3)40-28(36)34-13-11-21(12-14-34)35-18-20(17-31-35)32-27-30-16-19-7-6-8-24(26(19)33-27)23-10-9-22(41(5,37)38)15-25(23)39-4;1-33-23-13-20(34(2,31)32)11-12-21(23)22-10-6-7-17-14-26-25(29-24(17)22)28-18-15-27-30(16-18)19-8-4-3-5-9-19;1-22-14-8-11(23(2,20)21)6-7-12(14)13-5-3-4-10-9-18-16(17)19-15(10)13;9-6-3-1-2-5-4-11-8(10)12-7(5)6/h6-10,15-18,21H,11-14H2,1-5H3,(H,30,32,33);6-7,10-16,19H,3-5,8-9H2,1-2H3,(H,26,28,29);3-9H,1-2H3;1-4H
InChIKeyAQWLAWQYMUFURQ-UHFFFAOYSA-N
XLogP16.78
TPSA322.47 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001648.59
LogP ≤ 516.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine with MolForge

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Related Compounds

tert-butyl 4-[4-[[4-deuterio-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 158174928
tert-butyl 4-[4-[[5-[2-(2,6-difluoro-3-methoxy-5-methylphenyl)ethyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 90163899
8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid
CID 161429538
tert-butyl 4-[7-[[8-(2-methoxyphenyl)quinazolin-2-yl]amino]-2,2-dimethyl-3H-1-benzofuran-4-yl]piperidine-1-carboxylate
CID 122648841
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235
tert-butyl 4-[4-[[4-(4-amino-4-oxo-1-phenylbutan-2-yl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 90007833
tert-butyl 4-[4-[(5-bromoimidazo[1,2-a]pyrazin-8-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 171821154
tert-butyl 4-[4-[[4-[4-(cyanomethylcarbamoyl)phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 156781748
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
tert-butyl 4-[4-[[4-[3-cyano-4-[(1S,2R)-2-fluorocyclohexyl]oxyphenyl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 121249341
tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
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tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 107253321

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine?
The IUPAC name of 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine (CID 157201748) is 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine is COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc12.Clc1ncc2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine?
The InChIKey is AQWLAWQYMUFURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O5S.C25H27N5O3S.C16H13ClN2O3S.C8H4BrClN2/c1-29(2,3)40-28(36)34-13-11-21(12-14-34)35-18-20(17-31-35)32-27-30-16-19-7-6-8-24(26(19)33-27)23-10-9-22(41(5,37)38)15-25(23)39-4;1-33-23-13-20(34(2,31)32)11-12-21(23)22-10-6-7-17-14-26-25(29-24(17)22)28-18-15-27-30(16-18)19-8-4-3-5-9-19;1-22-14-8-11(23(2,20)21)6-7-12(14)13-5-3-4-10-9-18-16(17)19-15(10)13;9-6-3-1-2-5-4-11-8(10)12-7(5)6/h6-10,15-18,21H,11-14H2,1-5H3,(H,30,32,33);6-7,10-16,19H,3-5,8-9H2,1-2H3,(H,26,28,29);3-9H,1-2H3;1-4H.
What are the key properties of 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine?
8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine has a molecular weight of 1648.59 g/mol, XLogP of 16.78, 15 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloroquinazoline;tert-butyl 4-[4-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;N-(1-cyclohexylpyrazol-4-yl)-8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-amine is sourced from PubChem (CID 157201748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).