tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride

C85H100BrCl5N20O10 — CID 159027063

About tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride

tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride (PubChem CID 159027063) has the molecular formula C85H100BrCl5N20O10 and a molecular weight of 1819.03 g/mol. Its IUPAC name is tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride
• PubChem CID: 159027063
• Molecular Formula: C85H100BrCl5N20O10
• Molecular Weight: 1819.03 g/mol
• Exact Mass: 1814.56
• IUPAC Name: tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(C4CC4)cc23)CC1C#N.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(C4CC4)cc23)CC1C(N)=O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(N)=O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(C4CC4)cc23)CC1C(N)=O.CC1CC1
• InChI: InChI=1S/C21H26ClN5O3.C19H20ClN5O2.C19H18ClN5O.C18H21BrClN5O3.C4H8.C3H3ClO.CH4/c1-21(2,3)30-20(29)27-7-6-26(10-17(27)18(23)28)19-14-8-13(12-4-5-12)15(22)9-16(14)24-11-25-19;1-2-17(26)25-6-5-24(9-16(25)18(21)27)19-13-7-12(11-3-4-11)14(20)8-15(13)22-10-23-19;1-2-18(26)25-6-5-24(10-13(25)9-21)19-15-7-14(12-3-4-12)16(20)8-17(15)22-11-23-19;1-18(2,3)28-17(27)25-5-4-24(8-14(25)15(21)26)16-10-6-11(19)12(20)7-13(10)22-9-23-16;1-4-2-3-4;1-2-3(4)5;/h8-9,11-12,17H,4-7,10H2,1-3H3,(H2,23,28);2,7-8,10-11,16H,1,3-6,9H2,(H2,21,27);2,7-8,11-13H,1,3-6,10H2;6-7,9,14H,4-5,8H2,1-3H3,(H2,21,26);4H,2-3H2,1H3;2H,1H2;1H4
• InChIKey: JUKHXDMUEVNWBX-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 385.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1819.03
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride?

The IUPAC name of tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride (CID 159027063) is tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride.

What is the SMILES notation for tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride?

The canonical SMILES for tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(C4CC4)cc23)CC1C#N.C=CC(=O)N1CCN(c2ncnc3cc(Cl)c(C4CC4)cc23)CC1C(N)=O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(N)=O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(C4CC4)cc23)CC1C(N)=O.CC1CC1.

What is the InChIKey of tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride?

The InChIKey is JUKHXDMUEVNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3.C19H20ClN5O2.C19H18ClN5O.C18H21BrClN5O3.C4H8.C3H3ClO.CH4/c1-21(2,3)30-20(29)27-7-6-26(10-17(27)18(23)28)19-14-8-13(12-4-5-12)15(22)9-16(14)24-11-25-19;1-2-17(26)25-6-5-24(9-16(25)18(21)27)19-13-7-12(11-3-4-11)14(20)8-15(13)22-10-23-19;1-2-18(26)25-6-5-24(10-13(25)9-21)19-15-7-14(12-3-4-12)16(20)8-17(15)22-11-23-19;1-18(2,3)28-17(27)25-5-4-24(8-14(25)15(21)26)16-10-6-11(19)12(20)7-13(10)22-9-23-16;1-4-2-3-4;1-2-3(4)5;/h8-9,11-12,17H,4-7,10H2,1-3H3,(H2,23,28);2,7-8,10-11,16H,1,3-6,9H2,(H2,21,27);2,7-8,11-13H,1,3-6,10H2;6-7,9,14H,4-5,8H2,1-3H3,(H2,21,26);4H,2-3H2,1H3;2H,1H2;1H4.

What are the key properties of tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride?

tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride has a molecular weight of 1819.03 g/mol, XLogP of 13.75, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride is sourced from PubChem (CID 159027063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).