8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride

C107H124BBr2Cl8N19O10 — CID 157171183

IUPAC8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride
SMILESC.C1CCNCC1.C1CCOC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncc3cccc(-c4ccccc4Cl)c3n2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc3cccc(-c4ccccc4Cl)c3n2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc3cccc(Br)c3n2)CC1.CO.Cl.Cl.Clc1ccccc1-c1cccc2cnc(N3CCNCC3)nc12.Clc1ncc2cccc(Br)c2n1.OB(O)c1ccccc1Cl
InChIInChI=1S/C23H25ClN4O2.C21H19ClN4O.C18H17ClN4.C17H21BrN4O2.C8H4BrClN2.C6H6BClO2.C5H11N.C4H8O.C3H3ClO.CH4O.CH4.2ClH/c1-23(2,3)30-22(29)28-13-11-27(12-14-28)21-25-15-16-7-6-9-18(20(16)26-21)17-8-4-5-10-19(17)24;1-2-19(27)25-10-12-26(13-11-25)21-23-14-15-6-5-8-17(20(15)24-21)16-7-3-4-9-18(16)22;19-16-7-2-1-5-14(16)15-6-3-4-13-12-21-18(22-17(13)15)23-10-8-20-9-11-23;1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-19-11-12-5-4-6-13(18)14(12)20-15;9-6-3-1-2-5-4-11-8(10)12-7(5)6;8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-3(4)5;1-2;;;/h4-10,15H,11-14H2,1-3H3;2-9,14H,1,10-13H2;1-7,12,20H,8-11H2;4-6,11H,7-10H2,1-3H3;1-4H;1-4,9-10H;6H,1-5H2;1-4H2;2H,1H2;2H,1H3;1H4;2*1H
InChIKeyTWPPJJQPYROWKX-UHFFFAOYSA-N
MW2290.54 g/mol
LogP22.25
Rot. Bonds10

About 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride

8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride (PubChem CID 157171183) has the molecular formula C107H124BBr2Cl8N19O10 and a molecular weight of 2290.54 g/mol. Its IUPAC name is 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride.

Molecular Properties

Compound Name8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride
PubChem CID157171183
Molecular FormulaC107H124BBr2Cl8N19O10
Molecular Weight2290.54 g/mol
Exact Mass2283.57
IUPAC Name8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride
SMILESC.C1CCNCC1.C1CCOC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncc3cccc(-c4ccccc4Cl)c3n2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc3cccc(-c4ccccc4Cl)c3n2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc3cccc(Br)c3n2)CC1.CO.Cl.Cl.Clc1ccccc1-c1cccc2cnc(N3CCNCC3)nc12.Clc1ncc2cccc(Br)c2n1.OB(O)c1ccccc1Cl
InChIInChI=1S/C23H25ClN4O2.C21H19ClN4O.C18H17ClN4.C17H21BrN4O2.C8H4BrClN2.C6H6BClO2.C5H11N.C4H8O.C3H3ClO.CH4O.CH4.2ClH/c1-23(2,3)30-22(29)28-13-11-27(12-14-28)21-25-15-16-7-6-9-18(20(16)26-21)17-8-4-5-10-19(17)24;1-2-19(27)25-10-12-26(13-11-25)21-23-14-15-6-5-8-17(20(15)24-21)16-7-3-4-9-18(16)22;19-16-7-2-1-5-14(16)15-6-3-4-13-12-21-18(22-17(13)15)23-10-8-20-9-11-23;1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-19-11-12-5-4-6-13(18)14(12)20-15;9-6-3-1-2-5-4-11-8(10)12-7(5)6;8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-3(4)5;1-2;;;/h4-10,15H,11-14H2,1-3H3;2-9,14H,1,10-13H2;1-7,12,20H,8-11H2;4-6,11H,7-10H2,1-3H3;1-4H;1-4,9-10H;6H,1-5H2;1-4H2;2H,1H2;2H,1H3;1H4;2*1H
InChIKeyTWPPJJQPYROWKX-UHFFFAOYSA-N
XLogP22.25
TPSA332.30 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.54
LogP ≤ 522.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride with MolForge

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Related Compounds

8-Bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride
CID 158609208
6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride
CID 161074531

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride?
The IUPAC name of 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride (CID 157171183) is 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride.
What is the SMILES notation for 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride?
The canonical SMILES for 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride is C.C1CCNCC1.C1CCOC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncc3cccc(-c4ccccc4Cl)c3n2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc3cccc(-c4ccccc4Cl)c3n2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc3cccc(Br)c3n2)CC1.CO.Cl.Cl.Clc1ccccc1-c1cccc2cnc(N3CCNCC3)nc12.Clc1ncc2cccc(Br)c2n1.OB(O)c1ccccc1Cl.
What is the InChIKey of 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride?
The InChIKey is TWPPJJQPYROWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2.C21H19ClN4O.C18H17ClN4.C17H21BrN4O2.C8H4BrClN2.C6H6BClO2.C5H11N.C4H8O.C3H3ClO.CH4O.CH4.2ClH/c1-23(2,3)30-22(29)28-13-11-27(12-14-28)21-25-15-16-7-6-9-18(20(16)26-21)17-8-4-5-10-19(17)24;1-2-19(27)25-10-12-26(13-11-25)21-23-14-15-6-5-8-17(20(15)24-21)16-7-3-4-9-18(16)22;19-16-7-2-1-5-14(16)15-6-3-4-13-12-21-18(22-17(13)15)23-10-8-20-9-11-23;1-17(2,3)24-16(23)22-9-7-21(8-10-22)15-19-11-12-5-4-6-13(18)14(12)20-15;9-6-3-1-2-5-4-11-8(10)12-7(5)6;8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-3(4)5;1-2;;;/h4-10,15H,11-14H2,1-3H3;2-9,14H,1,10-13H2;1-7,12,20H,8-11H2;4-6,11H,7-10H2,1-3H3;1-4H;1-4,9-10H;6H,1-5H2;1-4H2;2H,1H2;2H,1H3;1H4;2*1H.
What are the key properties of 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride?
8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride has a molecular weight of 2290.54 g/mol, XLogP of 22.25, 10 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloroquinazoline;tert-butyl 4-(8-bromoquinazolin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carboxylate;(2-chlorophenyl)boronic acid;8-(2-chlorophenyl)-2-piperazin-1-ylquinazoline;1-[4-[8-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]prop-2-en-1-one;methane;methanol;oxolane;piperidine;prop-2-enoyl chloride;dihydrochloride is sourced from PubChem (CID 157171183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).