lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate

C112H130Br4Cl8FLiN28O22 — CID 159365032

IUPAClithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate
SMILESC=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(=O)O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(N)=O.COC(=O)C1CN(c2ncnc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Clc1cc2ncnc(Cl)c2cc1Br.O.[2H]CF.[C-]#[N+]c1cc2c(N3CCCC(C(N)=O)C3)ncnc2cc1Cl.[C-]#[N+]c1cc2c(N3CCN(C(=O)OC(C)(C)C)C(C(N)=O)C3)ncnc2cc1Cl.[Li+].[OH-]
InChIInChI=1S/C19H22BrClN4O4.C19H21ClN6O3.C18H21BrClN5O3.C18H20BrClN4O4.C15H14ClN5O.C11H20N2O4.C8H3BrCl2N2.C3H3ClO.CH3F.Li.2H2O/c1-19(2,3)29-18(27)25-6-5-24(9-15(25)17(26)28-4)16-11-7-12(20)13(21)8-14(11)22-10-23-16;1-19(2,3)29-18(28)26-6-5-25(9-15(26)16(21)27)17-11-7-14(22-4)12(20)8-13(11)23-10-24-17;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;1-18(2,3)28-17(27)24-5-4-23(8-14(24)16(25)26)15-10-6-11(19)12(20)7-13(10)21-9-22-15;1-18-13-5-10-12(6-11(13)16)19-8-20-15(10)21-4-2-3-9(7-21)14(17)22;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;9-5-1-4-7(2-6(5)10)12-3-13-8(4)11;1-2-3(4)5;1-2;;;/h7-8,10,15H,5-6,9H2,1-4H3;7-8,10,15H,5-6,9H2,1-3H3,(H2,21,27);6-7,9,14H,4-5,8H2,1-3H3,(H2,21,26);6-7,9,14H,4-5,8H2,1-3H3,(H,25,26);5-6,8-9H,2-4,7H2,(H2,17,22);8,12H,5-7H2,1-4H3;1-3H;2H,1H2;1H3;;2*1H2/q;;;;;;;;;+1;;/p-1/i;;;;;;;;1D;;;
InChIKeyNCEUSHAJPPQQDU-ZOPHDJMJSA-M
MW2850.63 g/mol
LogP17.03
Rot. Bonds12

About lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate

lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate (PubChem CID 159365032) has the molecular formula C112H130Br4Cl8FLiN28O22 and a molecular weight of 2850.63 g/mol. Its IUPAC name is lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate
PubChem CID159365032
Molecular FormulaC112H130Br4Cl8FLiN28O22
Molecular Weight2850.63 g/mol
Exact Mass2841.44
IUPAC Namelithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate
SMILESC=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(=O)O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(N)=O.COC(=O)C1CN(c2ncnc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Clc1cc2ncnc(Cl)c2cc1Br.O.[2H]CF.[C-]#[N+]c1cc2c(N3CCCC(C(N)=O)C3)ncnc2cc1Cl.[C-]#[N+]c1cc2c(N3CCN(C(=O)OC(C)(C)C)C(C(N)=O)C3)ncnc2cc1Cl.[Li+].[OH-]
InChIInChI=1S/C19H22BrClN4O4.C19H21ClN6O3.C18H21BrClN5O3.C18H20BrClN4O4.C15H14ClN5O.C11H20N2O4.C8H3BrCl2N2.C3H3ClO.CH3F.Li.2H2O/c1-19(2,3)29-18(27)25-6-5-24(9-15(25)17(26)28-4)16-11-7-12(20)13(21)8-14(11)22-10-23-16;1-19(2,3)29-18(28)26-6-5-25(9-15(26)16(21)27)17-11-7-14(22-4)12(20)8-13(11)23-10-24-17;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;1-18(2,3)28-17(27)24-5-4-23(8-14(24)16(25)26)15-10-6-11(19)12(20)7-13(10)21-9-22-15;1-18-13-5-10-12(6-11(13)16)19-8-20-15(10)21-4-2-3-9(7-21)14(17)22;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;9-5-1-4-7(2-6(5)10)12-3-13-8(4)11;1-2-3(4)5;1-2;;;/h7-8,10,15H,5-6,9H2,1-4H3;7-8,10,15H,5-6,9H2,1-3H3,(H2,21,27);6-7,9,14H,4-5,8H2,1-3H3,(H2,21,26);6-7,9,14H,4-5,8H2,1-3H3,(H,25,26);5-6,8-9H,2-4,7H2,(H2,17,22);8,12H,5-7H2,1-4H3;1-3H;2H,1H2;1H3;;2*1H2/q;;;;;;;;;+1;;/p-1/i;;;;;;;;1D;;;
InChIKeyNCEUSHAJPPQQDU-ZOPHDJMJSA-M
XLogP17.03
TPSA637.07 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds12
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.63
LogP ≤ 517.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate with MolForge

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Related Compounds

4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;hydrochloride
CID 157129171
lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;deuterio(fluoro)methane;hydroxide;hydrate
CID 157917955
4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride
CID 158017790
4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid
CID 160614247
lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate
CID 167553196

Frequently Asked Questions

What is the IUPAC name of lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate?
The IUPAC name of lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate (CID 159365032) is lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate.
What is the SMILES notation for lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate?
The canonical SMILES for lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate is C=CC(=O)Cl.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(=O)O.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Cl)c(Br)cc23)CC1C(N)=O.COC(=O)C1CN(c2ncnc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Clc1cc2ncnc(Cl)c2cc1Br.O.[2H]CF.[C-]#[N+]c1cc2c(N3CCCC(C(N)=O)C3)ncnc2cc1Cl.[C-]#[N+]c1cc2c(N3CCN(C(=O)OC(C)(C)C)C(C(N)=O)C3)ncnc2cc1Cl.[Li+].[OH-].
What is the InChIKey of lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate?
The InChIKey is NCEUSHAJPPQQDU-ZOPHDJMJSA-M. The full InChI is InChI=1S/C19H22BrClN4O4.C19H21ClN6O3.C18H21BrClN5O3.C18H20BrClN4O4.C15H14ClN5O.C11H20N2O4.C8H3BrCl2N2.C3H3ClO.CH3F.Li.2H2O/c1-19(2,3)29-18(27)25-6-5-24(9-15(25)17(26)28-4)16-11-7-12(20)13(21)8-14(11)22-10-23-16;1-19(2,3)29-18(28)26-6-5-25(9-15(26)16(21)27)17-11-7-14(22-4)12(20)8-13(11)23-10-24-17;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;1-18(2,3)28-17(27)24-5-4-23(8-14(24)16(25)26)15-10-6-11(19)12(20)7-13(10)21-9-22-15;1-18-13-5-10-12(6-11(13)16)19-8-20-15(10)21-4-2-3-9(7-21)14(17)22;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;9-5-1-4-7(2-6(5)10)12-3-13-8(4)11;1-2-3(4)5;1-2;;;/h7-8,10,15H,5-6,9H2,1-4H3;7-8,10,15H,5-6,9H2,1-3H3,(H2,21,27);6-7,9,14H,4-5,8H2,1-3H3,(H2,21,26);6-7,9,14H,4-5,8H2,1-3H3,(H,25,26);5-6,8-9H,2-4,7H2,(H2,17,22);8,12H,5-7H2,1-4H3;1-3H;2H,1H2;1H3;;2*1H2/q;;;;;;;;;+1;;/p-1/i;;;;;;;;1D;;;.
What are the key properties of lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate?
lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate has a molecular weight of 2850.63 g/mol, XLogP of 17.03, 12 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate is sourced from PubChem (CID 159365032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).