7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride

C68H69BBrCl7F3N11O4 — CID 157097911

IUPAC7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(Cl)c(-c4ccccc4F)c(Cl)cc23)CC1.CCN(CC)CC.Clc1cc2c(N3CCCCC3)ncnc2c(Cl)c1Br.Fc1ccccc1-c1c(Cl)cc2c(N3CCCCC3)ncnc2c1Cl.OB(O)c1ccccc1F
InChIInChI=1S/C21H17Cl2FN4O.C19H16Cl2FN3.C13H12BrCl2N3.C6H6BFO2.C6H15N.C3H3ClO/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)24)19(23)20(14)25-12-26-21;20-14-10-13-18(17(21)16(14)12-6-2-3-7-15(12)22)23-11-24-19(13)25-8-4-1-5-9-25;14-10-9(15)6-8-12(11(10)16)17-7-18-13(8)19-4-2-1-3-5-19;8-6-4-2-1-3-5(6)7(9)10;1-4-7(5-2)6-3;1-2-3(4)5/h2-6,11-12H,1,7-10H2;2-3,6-7,10-11H,1,4-5,8-9H2;6-7H,1-5H2;1-4,9-10H;4-6H2,1-3H3;2H,1H2
InChIKeyAFKPLQUQKWOIQL-UHFFFAOYSA-N
MW1500.25 g/mol
LogP16.79
Rot. Bonds11

About 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride

7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride (PubChem CID 157097911) has the molecular formula C68H69BBrCl7F3N11O4 and a molecular weight of 1500.25 g/mol. Its IUPAC name is 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride.

Molecular Properties

Compound Name7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride
PubChem CID157097911
Molecular FormulaC68H69BBrCl7F3N11O4
Molecular Weight1500.25 g/mol
Exact Mass1495.26
IUPAC Name7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(Cl)c(-c4ccccc4F)c(Cl)cc23)CC1.CCN(CC)CC.Clc1cc2c(N3CCCCC3)ncnc2c(Cl)c1Br.Fc1ccccc1-c1c(Cl)cc2c(N3CCCCC3)ncnc2c1Cl.OB(O)c1ccccc1F
InChIInChI=1S/C21H17Cl2FN4O.C19H16Cl2FN3.C13H12BrCl2N3.C6H6BFO2.C6H15N.C3H3ClO/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)24)19(23)20(14)25-12-26-21;20-14-10-13-18(17(21)16(14)12-6-2-3-7-15(12)22)23-11-24-19(13)25-8-4-1-5-9-25;14-10-9(15)6-8-12(11(10)16)17-7-18-13(8)19-4-2-1-3-5-19;8-6-4-2-1-3-5(6)7(9)10;1-4-7(5-2)6-3;1-2-3(4)5/h2-6,11-12H,1,7-10H2;2-3,6-7,10-11H,1,4-5,8-9H2;6-7H,1-5H2;1-4,9-10H;4-6H2,1-3H3;2H,1H2
InChIKeyAFKPLQUQKWOIQL-UHFFFAOYSA-N
XLogP16.79
TPSA168.14 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001500.25
LogP ≤ 516.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118010193
1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-hydroxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118010320
1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane
CID 137247534
tert-butyl 4-(7-chloro-8-fluoro-6-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;4,7-dichloro-8-fluoro-6-methylquinazoline;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride;thionyl dichloride
CID 159671056
1-[4-[6-chloro-8-fluoro-7-(1H-indol-3-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118019196
1-[4-[6-chloro-8-fluoro-7-(3-methyl-2H-indazol-7-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118019071
[2-[6-chloro-8-fluoro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenoxy]methyl dihydrogen phosphate
CID 122602064
1-[4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118010164
1-[4-(6-chloro-7-piperidin-1-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 118018882
1-[4-[6,8-dichloro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 134471677
1-[4-[6-chloro-8-fluoro-7-(2-methoxy-6-methylphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118018865
ethane;1-[4-[7-(2-fluoro-6-hydroxyphenyl)-8-methyl-6-propylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 145329387

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride?
The IUPAC name of 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride (CID 157097911) is 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride.
What is the SMILES notation for 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride?
The canonical SMILES for 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3c(Cl)c(-c4ccccc4F)c(Cl)cc23)CC1.CCN(CC)CC.Clc1cc2c(N3CCCCC3)ncnc2c(Cl)c1Br.Fc1ccccc1-c1c(Cl)cc2c(N3CCCCC3)ncnc2c1Cl.OB(O)c1ccccc1F.
What is the InChIKey of 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride?
The InChIKey is AFKPLQUQKWOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN4O.C19H16Cl2FN3.C13H12BrCl2N3.C6H6BFO2.C6H15N.C3H3ClO/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)24)19(23)20(14)25-12-26-21;20-14-10-13-18(17(21)16(14)12-6-2-3-7-15(12)22)23-11-24-19(13)25-8-4-1-5-9-25;14-10-9(15)6-8-12(11(10)16)17-7-18-13(8)19-4-2-1-3-5-19;8-6-4-2-1-3-5(6)7(9)10;1-4-7(5-2)6-3;1-2-3(4)5/h2-6,11-12H,1,7-10H2;2-3,6-7,10-11H,1,4-5,8-9H2;6-7H,1-5H2;1-4,9-10H;4-6H2,1-3H3;2H,1H2.
What are the key properties of 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride?
7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride has a molecular weight of 1500.25 g/mol, XLogP of 16.79, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6,8-dichloro-4-piperidin-1-ylquinazoline;6,8-dichloro-7-(2-fluorophenyl)-4-piperidin-1-ylquinazoline;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N,N-diethylethanamine;(2-fluorophenyl)boronic acid;prop-2-enoyl chloride is sourced from PubChem (CID 157097911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).