4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane

C96H110Br4Cl2F4N16O9 — CID 157097010

IUPAC4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane
SMILESCc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1O.ClCCl.[2H]C([2H])(O)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCN(C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCNCC1
InChIInChI=1S/C26H30BrFN4O3.C22H24BrFN4O.C21H22BrFN4O.C15H11BrFN3O.C11H21NO3.CH2Cl2/c1-16-11-19-22(29-15-30-24(19)31-21-6-5-18(27)12-20(21)28)13-23(16)34-14-17-7-9-32(10-8-17)25(33)35-26(2,3)4;1-14-9-17-20(11-21(14)29-12-15-5-7-28(2)8-6-15)25-13-26-22(17)27-19-4-3-16(23)10-18(19)24;1-13-8-16-19(10-20(13)28-11-14-4-6-24-7-5-14)25-12-26-21(16)27-18-3-2-15(22)9-17(18)23;1-8-4-10-13(6-14(8)21)18-7-19-15(10)20-12-3-2-9(16)5-11(12)17;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;2-1-3/h5-6,11-13,15,17H,7-10,14H2,1-4H3,(H,29,30,31);3-4,9-11,13,15H,5-8,12H2,1-2H3,(H,25,26,27);2-3,8-10,12,14,24H,4-7,11H2,1H3,(H,25,26,27);2-7,21H,1H3,(H,18,19,20);9,13H,4-8H2,1-3H3;1H2/i14D2;12D2;11D2;;8D2;
InChIKeyAFICIBRXUDTDAB-ZFAKXAPOSA-N
MW2106.60 g/mol
LogP24.21
Rot. Bonds18

About 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane

4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane (PubChem CID 157097010) has the molecular formula C96H110Br4Cl2F4N16O9 and a molecular weight of 2106.60 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane
PubChem CID157097010
Molecular FormulaC96H110Br4Cl2F4N16O9
Molecular Weight2106.60 g/mol
Exact Mass2100.52
IUPAC Name4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane
SMILESCc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1O.ClCCl.[2H]C([2H])(O)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCN(C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCNCC1
InChIInChI=1S/C26H30BrFN4O3.C22H24BrFN4O.C21H22BrFN4O.C15H11BrFN3O.C11H21NO3.CH2Cl2/c1-16-11-19-22(29-15-30-24(19)31-21-6-5-18(27)12-20(21)28)13-23(16)34-14-17-7-9-32(10-8-17)25(33)35-26(2,3)4;1-14-9-17-20(11-21(14)29-12-15-5-7-28(2)8-6-15)25-13-26-22(17)27-19-4-3-16(23)10-18(19)24;1-13-8-16-19(10-20(13)28-11-14-4-6-24-7-5-14)25-12-26-21(16)27-18-3-2-15(22)9-17(18)23;1-8-4-10-13(6-14(8)21)18-7-19-15(10)20-12-3-2-9(16)5-11(12)17;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;2-1-3/h5-6,11-13,15,17H,7-10,14H2,1-4H3,(H,29,30,31);3-4,9-11,13,15H,5-8,12H2,1-2H3,(H,25,26,27);2-3,8-10,12,14,24H,4-7,11H2,1H3,(H,25,26,27);2-7,21H,1H3,(H,18,19,20);9,13H,4-8H2,1-3H3;1H2/i14D2;12D2;11D2;;8D2;
InChIKeyAFICIBRXUDTDAB-ZFAKXAPOSA-N
XLogP24.21
TPSA293.74 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002106.60
LogP ≤ 524.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane 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

N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine
CID 58264300
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 158046171
tert-butyl 3-[6-amino-4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate
CID 90888831
4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68530871
4-[[6-amino-4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69101080
1-[(3S)-3-[4-(4-bromo-2-fluoroanilino)-7-hydroxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 136961211
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
tert-butyl 4-[3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropyl]piperidine-1-carboxylate
CID 22270179
tert-butyl 4-(4-bromo-2-fluoroanilino)azepane-1-carboxylate
CID 103980424
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 66874998
tert-butyl 3-[2-[4-(3-chloro-2-fluoroanilino)-6-nitroquinazolin-7-yl]ethynyl]pyrrolidine-1-carboxylate;tert-butyl 3-ethynylpyrrolidine-1-carboxylate;4-(3-chloro-2-fluoroanilino)-6-nitroquinazolin-7-ol;N-(3-chloro-2-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-7-methyl-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-7-[2-(1-methylpyrrolidin-3-yl)ethynyl]-6-nitroquinazolin-4-amine;N-(3-chloro-2-fluorophenyl)-6-nitro-7-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine
CID 167705448
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane (CID 157097010) is 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane is Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1O.ClCCl.[2H]C([2H])(O)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCN(C(=O)OC(C)(C)C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCN(C)CC1.[2H]C([2H])(Oc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1C)C1CCNCC1.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane?
The InChIKey is AFICIBRXUDTDAB-ZFAKXAPOSA-N. The full InChI is InChI=1S/C26H30BrFN4O3.C22H24BrFN4O.C21H22BrFN4O.C15H11BrFN3O.C11H21NO3.CH2Cl2/c1-16-11-19-22(29-15-30-24(19)31-21-6-5-18(27)12-20(21)28)13-23(16)34-14-17-7-9-32(10-8-17)25(33)35-26(2,3)4;1-14-9-17-20(11-21(14)29-12-15-5-7-28(2)8-6-15)25-13-26-22(17)27-19-4-3-16(23)10-18(19)24;1-13-8-16-19(10-20(13)28-11-14-4-6-24-7-5-14)25-12-26-21(16)27-18-3-2-15(22)9-17(18)23;1-8-4-10-13(6-14(8)21)18-7-19-15(10)20-12-3-2-9(16)5-11(12)17;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;2-1-3/h5-6,11-13,15,17H,7-10,14H2,1-4H3,(H,29,30,31);3-4,9-11,13,15H,5-8,12H2,1-2H3,(H,25,26,27);2-3,8-10,12,14,24H,4-7,11H2,1H3,(H,25,26,27);2-7,21H,1H3,(H,18,19,20);9,13H,4-8H2,1-3H3;1H2/i14D2;12D2;11D2;;8D2;.
What are the key properties of 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane?
4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane has a molecular weight of 2106.60 g/mol, XLogP of 24.21, 18 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-ol;N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;N-(4-bromo-2-fluorophenyl)-7-[dideuterio(piperidin-4-yl)methoxy]-6-methylquinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-dideuteriomethyl]piperidine-1-carboxylate;tert-butyl 4-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate;dichloromethane is sourced from PubChem (CID 157097010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).