4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine

C88H97BBrClI2N14O6 — CID 164957907

IUPAC4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
SMILESC.C.C.C.COC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)c1.COC(=O)c1cncc(Br)c1.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1.Clc1ncnc2ccc(I)cc12
InChIInChI=1S/C23H20N4O2.C22H26BN3O2.C16H14IN3.C8H4ClIN2.C8H11N.C7H6BrNO2.4CH4/c1-15(16-6-4-3-5-7-16)27-22-20-11-17(8-9-21(20)25-14-26-22)18-10-19(13-24-12-18)23(28)29-2;1-15(16-9-7-6-8-10-16)26-20-18-13-17(11-12-19(18)24-14-25-20)23-27-21(2,3)22(4,5)28-23;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-7(9)8-5-3-2-4-6-8;1-11-7(10)5-2-6(8)4-9-3-5;;;;/h3-15H,1-2H3,(H,25,26,27);6-15H,1-5H3,(H,24,25,26);2-11H,1H3,(H,18,19,20);1-4H;2-7H,9H2,1H3;2-4H,1H3;4*1H4/t2*15-;11-;;7-;;;;;/m111.1...../s1
InChIKeyBKTINXPOBTWZNR-JLRVGRCZSA-N
MW1826.81 g/mol
LogP21.93
Rot. Bonds14

About 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine

4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine (PubChem CID 164957907) has the molecular formula C88H97BBrClI2N14O6 and a molecular weight of 1826.81 g/mol. Its IUPAC name is 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
PubChem CID164957907
Molecular FormulaC88H97BBrClI2N14O6
Molecular Weight1826.81 g/mol
Exact Mass1824.48
IUPAC Name4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
SMILESC.C.C.C.COC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)c1.COC(=O)c1cncc(Br)c1.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1.Clc1ncnc2ccc(I)cc12
InChIInChI=1S/C23H20N4O2.C22H26BN3O2.C16H14IN3.C8H4ClIN2.C8H11N.C7H6BrNO2.4CH4/c1-15(16-6-4-3-5-7-16)27-22-20-11-17(8-9-21(20)25-14-26-22)18-10-19(13-24-12-18)23(28)29-2;1-15(16-9-7-6-8-10-16)26-20-18-13-17(11-12-19(18)24-14-25-20)23-27-21(2,3)22(4,5)28-23;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-7(9)8-5-3-2-4-6-8;1-11-7(10)5-2-6(8)4-9-3-5;;;;/h3-15H,1-2H3,(H,25,26,27);6-15H,1-5H3,(H,24,25,26);2-11H,1H3,(H,18,19,20);1-4H;2-7H,9H2,1H3;2-4H,1H3;4*1H4/t2*15-;11-;;7-;;;;;/m111.1...../s1
InChIKeyBKTINXPOBTWZNR-JLRVGRCZSA-N
XLogP21.93
TPSA262.07 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.81
LogP ≤ 521.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;N-[4-(6-chloro-5-iodo-4-methyl-3-pyridinyl)-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine;2-cyclopropyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine;methyl 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylate
CID 159139444
3-Aminobenzonitrile;2-bromopyridine;methyl 4-chloroquinazoline-8-carboxylate;methyl 4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxylate;3-(pyridin-2-ylmethyl)benzonitrile;[3-(pyridin-2-ylmethyl)phenyl]methanamine;4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxamide;hydrochloride
CID 160681131
3-Bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 163683352
2-Amino-6-(4-methylphenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;3-bromo-6-(4-methylphenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-methylphenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylate;6-(4-methylphenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine
CID 164016394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?
The IUPAC name of 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine (CID 164957907) is 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?
The canonical SMILES for 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine is C.C.C.C.COC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)c1.COC(=O)c1cncc(Br)c1.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)c1ccccc1.C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccccc1.Clc1ncnc2ccc(I)cc12.
What is the InChIKey of 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?
The InChIKey is BKTINXPOBTWZNR-JLRVGRCZSA-N. The full InChI is InChI=1S/C23H20N4O2.C22H26BN3O2.C16H14IN3.C8H4ClIN2.C8H11N.C7H6BrNO2.4CH4/c1-15(16-6-4-3-5-7-16)27-22-20-11-17(8-9-21(20)25-14-26-22)18-10-19(13-24-12-18)23(28)29-2;1-15(16-9-7-6-8-10-16)26-20-18-13-17(11-12-19(18)24-14-25-20)23-27-21(2,3)22(4,5)28-23;1-11(12-5-3-2-4-6-12)20-16-14-9-13(17)7-8-15(14)18-10-19-16;9-8-6-3-5(10)1-2-7(6)11-4-12-8;1-7(9)8-5-3-2-4-6-8;1-11-7(10)5-2-6(8)4-9-3-5;;;;/h3-15H,1-2H3,(H,25,26,27);6-15H,1-5H3,(H,24,25,26);2-11H,1H3,(H,18,19,20);1-4H;2-7H,9H2,1H3;2-4H,1H3;4*1H4/t2*15-;11-;;7-;;;;;/m111.1...../s1.
What are the key properties of 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?
4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine has a molecular weight of 1826.81 g/mol, XLogP of 21.93, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-iodoquinazoline;6-iodo-N-[(1R)-1-phenylethyl]quinazolin-4-amine;methane;methyl 5-bromopyridine-3-carboxylate;methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 164957907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).