2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride

C98H75BCl6F4N14O9 — CID 159407051

IUPAC2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.COC(=O)c1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1.Cl.NCCCc1ncc[nH]1.O=C(NCCCc1ncc[nH]1)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.O=C(O)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C27H21ClFN5O.C22H14ClFN2O2.C21H12ClFN2O2.C16H10Cl2N2O2.C6H6BFO2.C6H11N3.ClH/c28-20-8-3-18(4-9-20)26-33-23-16-19(27(35)32-13-1-2-24-30-14-15-31-24)7-12-22(23)25(34-26)17-5-10-21(29)11-6-17;1-28-22(27)15-6-11-18-19(12-15)25-21(14-2-7-16(23)8-3-14)26-20(18)13-4-9-17(24)10-5-13;22-15-6-1-13(2-7-15)20-24-18-11-14(21(26)27)5-10-17(18)19(25-20)12-3-8-16(23)9-4-12;1-22-16(21)10-4-7-12-13(8-10)19-15(20-14(12)18)9-2-5-11(17)6-3-9;8-6-3-1-5(2-4-6)7(9)10;7-3-1-2-6-8-4-5-9-6;/h3-12,14-16H,1-2,13H2,(H,30,31)(H,32,35);2-12H,1H3;1-11H,(H,26,27);2-8H,1H3;1-4,9-10H;4-5H,1-3,7H2,(H,8,9);1H
InChIKeyKZXHKGYAVBYLGB-UHFFFAOYSA-N
MW1892.29 g/mol
LogP21.46
Rot. Bonds19

About 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride

2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride (PubChem CID 159407051) has the molecular formula C98H75BCl6F4N14O9 and a molecular weight of 1892.29 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride
PubChem CID159407051
Molecular FormulaC98H75BCl6F4N14O9
Molecular Weight1892.29 g/mol
Exact Mass1888.40
IUPAC Name2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.COC(=O)c1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1.Cl.NCCCc1ncc[nH]1.O=C(NCCCc1ncc[nH]1)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.O=C(O)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C27H21ClFN5O.C22H14ClFN2O2.C21H12ClFN2O2.C16H10Cl2N2O2.C6H6BFO2.C6H11N3.ClH/c28-20-8-3-18(4-9-20)26-33-23-16-19(27(35)32-13-1-2-24-30-14-15-31-24)7-12-22(23)25(34-26)17-5-10-21(29)11-6-17;1-28-22(27)15-6-11-18-19(12-15)25-21(14-2-7-16(23)8-3-14)26-20(18)13-4-9-17(24)10-5-13;22-15-6-1-13(2-7-15)20-24-18-11-14(21(26)27)5-10-17(18)19(25-20)12-3-8-16(23)9-4-12;1-22-16(21)10-4-7-12-13(8-10)19-15(20-14(12)18)9-2-5-11(17)6-3-9;8-6-3-1-5(2-4-6)7(9)10;7-3-1-2-6-8-4-5-9-6;/h3-12,14-16H,1-2,13H2,(H,30,31)(H,32,35);2-12H,1H3;1-11H,(H,26,27);2-8H,1H3;1-4,9-10H;4-5H,1-3,7H2,(H,8,9);1H
InChIKeyKZXHKGYAVBYLGB-UHFFFAOYSA-N
XLogP21.46
TPSA345.96 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.29
LogP ≤ 521.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride with MolForge

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Related Compounds

1-[5-(3-Chloro-4-fluoroanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-[4-chloro-3-(trifluoromethyl)anilino]benzo[c][2,6]naphthyridine-8-carboxylic acid;methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate;5-[3-(trifluoromethyl)anilino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 157449301
5-(3-Chloroanilino)-3-(ethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(3-chloroanilino)-3-(2-methylpropyl)pyrimido[4,5-c]quinoline-8-carboxylic acid;3-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 158684406
1-[5-(3-Chloroanilino)-3-(cyclopropylmethyl)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(dimethylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-chloroanilino)-3-(methylamino)-5,6-dihydropyrimido[4,5-c]quinolin-8-yl]ethanone;5-[3-(1,1-difluoroethyl)anilino]-3-ethoxypyrimido[4,5-c]quinoline-8-carboxylic acid;5-[3-(1,1-difluoroethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 160555249
5-(3-Chloroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid;1-[5-(3-chloro-4-fluoroanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxamide;5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-[3-(trifluoromethyl)anilino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 161265227
5-(Cyclopropylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid;methyl 5-(3-chloro-4-fluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylate;5-[3-(trifluoromethyl)anilino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 161789561
[(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline-lead(II)]-benzene-1,4-dicarboxylato], [Pb(C~19~H~10~N~4~FCl)~2~(C~8~H~4~O~4~)]
CID 139207441
1-[5-(3-Chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethanone;1-[5-(3,5-difluoroanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;1-[5-(3-fluoroanilino)pyrimido[4,5-c]quinolin-8-yl]ethanone;methyl 5-chloropyrimido[4,5-c]quinoline-8-carboxylate;5-(2-phenylethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 157482182
5-anilino-3-ethylpyrimido[4,5-c]quinoline-8-carboxylic acid;methyl 5-chloro-3-ethylpyrimido[4,5-c]quinoline-8-carboxylate;methyl 3-ethyl-5-oxo-6H-pyrimido[4,5-c]quinoline-8-carboxylate
CID 157574457
5-benzyl-3-ethylpyrimido[4,5-c]quinoline-8-carboxylic acid;methyl 5-chloro-3-ethylpyrimido[4,5-c]quinoline-8-carboxylate;methyl 3-ethyl-5-oxo-6H-pyrimido[4,5-c]quinoline-8-carboxylate
CID 157905191
5-(3-Chloroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(3-chloro-4-fluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-(3-fluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 158444754
5-(3,5-Difluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid;methyl 5-chloropyrimido[4,5-c]quinoline-8-carboxylate;methyl 5-(3,5-difluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylate
CID 158715390
2-chloro-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;(3,4-difluorophenyl)boronic acid;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 158873518

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride (CID 159407051) is 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride is COC(=O)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.COC(=O)c1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1.Cl.NCCCc1ncc[nH]1.O=C(NCCCc1ncc[nH]1)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.O=C(O)c1ccc2c(-c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)nc2c1.OB(O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride?
The InChIKey is KZXHKGYAVBYLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN5O.C22H14ClFN2O2.C21H12ClFN2O2.C16H10Cl2N2O2.C6H6BFO2.C6H11N3.ClH/c28-20-8-3-18(4-9-20)26-33-23-16-19(27(35)32-13-1-2-24-30-14-15-31-24)7-12-22(23)25(34-26)17-5-10-21(29)11-6-17;1-28-22(27)15-6-11-18-19(12-15)25-21(14-2-7-16(23)8-3-14)26-20(18)13-4-9-17(24)10-5-13;22-15-6-1-13(2-7-15)20-24-18-11-14(21(26)27)5-10-17(18)19(25-20)12-3-8-16(23)9-4-12;1-22-16(21)10-4-7-12-13(8-10)19-15(20-14(12)18)9-2-5-11(17)6-3-9;8-6-3-1-5(2-4-6)7(9)10;7-3-1-2-6-8-4-5-9-6;/h3-12,14-16H,1-2,13H2,(H,30,31)(H,32,35);2-12H,1H3;1-11H,(H,26,27);2-8H,1H3;1-4,9-10H;4-5H,1-3,7H2,(H,8,9);1H.
What are the key properties of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride?
2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride has a molecular weight of 1892.29 g/mol, XLogP of 21.46, 19 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylic acid;(4-fluorophenyl)boronic acid;3-(1H-imidazol-2-yl)propan-1-amine;methyl 4-chloro-2-(4-chlorophenyl)quinazoline-7-carboxylate;methyl 2-(4-chlorophenyl)-4-(4-fluorophenyl)quinazoline-7-carboxylate;hydrochloride is sourced from PubChem (CID 159407051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).