2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine

C101H74Cl2F2N20O — CID 158122549

IUPAC2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1.Clc1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1.Clc1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1.Fc1ccccc1-c1nc(Nc2ccncn2)c2ccccc2n1.c1ccc(-c2nc(Nc3cccc4[nH]ccc34)c3ccccc3n2)cc1
InChIInChI=1S/C22H16N4.C21H16FN3O.2C20H15ClN4.C18H12FN5/c1-2-7-15(8-3-1)21-24-20-10-5-4-9-17(20)22(26-21)25-19-12-6-11-18-16(19)13-14-23-18;1-26-15-12-10-14(11-13-15)23-21-17-7-3-5-9-19(17)24-20(25-21)16-6-2-4-8-18(16)22;21-16-9-7-15(8-10-16)19-24-18-6-2-1-5-17(18)20(25-19)23-13-14-4-3-11-22-12-14;21-16-7-5-15(6-8-16)19-24-18-4-2-1-3-17(18)20(25-19)23-13-14-9-11-22-12-10-14;19-14-7-3-1-5-12(14)17-22-15-8-4-2-6-13(15)18(24-17)23-16-9-10-20-11-21-16/h1-14,23H,(H,24,25,26);2-13H,1H3,(H,23,24,25);2*1-12H,13H2,(H,23,24,25);1-11H,(H,20,21,22,23,24)
InChIKeyFRTVGTXREDJMRA-UHFFFAOYSA-N
MW1692.74 g/mol
LogP24.59
Rot. Bonds18

About 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine

2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine (PubChem CID 158122549) has the molecular formula C101H74Cl2F2N20O and a molecular weight of 1692.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine
PubChem CID158122549
Molecular FormulaC101H74Cl2F2N20O
Molecular Weight1692.74 g/mol
Exact Mass1690.57
IUPAC Name2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1.Clc1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1.Clc1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1.Fc1ccccc1-c1nc(Nc2ccncn2)c2ccccc2n1.c1ccc(-c2nc(Nc3cccc4[nH]ccc34)c3ccccc3n2)cc1
InChIInChI=1S/C22H16N4.C21H16FN3O.2C20H15ClN4.C18H12FN5/c1-2-7-15(8-3-1)21-24-20-10-5-4-9-17(20)22(26-21)25-19-12-6-11-18-16(19)13-14-23-18;1-26-15-12-10-14(11-13-15)23-21-17-7-3-5-9-19(17)24-20(25-21)16-6-2-4-8-18(16)22;21-16-9-7-15(8-10-16)19-24-18-6-2-1-5-17(18)20(25-19)23-13-14-4-3-11-22-12-14;21-16-7-5-15(6-8-16)19-24-18-4-2-1-3-17(18)20(25-19)23-13-14-9-11-22-12-10-14;19-14-7-3-1-5-12(14)17-22-15-8-4-2-6-13(15)18(24-17)23-16-9-10-20-11-21-16/h1-14,23H,(H,24,25,26);2-13H,1H3,(H,23,24,25);2*1-12H,13H2,(H,23,24,25);1-11H,(H,20,21,22,23,24)
InChIKeyFRTVGTXREDJMRA-UHFFFAOYSA-N
XLogP24.59
TPSA265.63 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001692.74
LogP ≤ 524.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
CID 172698889
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine
CID 59213559
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine (CID 158122549) is 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine is COc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1.Clc1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1.Clc1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1.Fc1ccccc1-c1nc(Nc2ccncn2)c2ccccc2n1.c1ccc(-c2nc(Nc3cccc4[nH]ccc34)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine?
The InChIKey is FRTVGTXREDJMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4.C21H16FN3O.2C20H15ClN4.C18H12FN5/c1-2-7-15(8-3-1)21-24-20-10-5-4-9-17(20)22(26-21)25-19-12-6-11-18-16(19)13-14-23-18;1-26-15-12-10-14(11-13-15)23-21-17-7-3-5-9-19(17)24-20(25-21)16-6-2-4-8-18(16)22;21-16-9-7-15(8-10-16)19-24-18-6-2-1-5-17(18)20(25-19)23-13-14-4-3-11-22-12-14;21-16-7-5-15(6-8-16)19-24-18-4-2-1-3-17(18)20(25-19)23-13-14-9-11-22-12-10-14;19-14-7-3-1-5-12(14)17-22-15-8-4-2-6-13(15)18(24-17)23-16-9-10-20-11-21-16/h1-14,23H,(H,24,25,26);2-13H,1H3,(H,23,24,25);2*1-12H,13H2,(H,23,24,25);1-11H,(H,20,21,22,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine?
2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine has a molecular weight of 1692.74 g/mol, XLogP of 24.59, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine;N-(1H-indol-4-yl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 158122549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).