2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol

C94H69F2N21O — CID 161027744

IUPAC2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESFc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1.Nc1ccc2c(Nc3ccncc3)nc(-c3ccc(F)cc3)nc2c1.Oc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.c1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O.C19H14FN5.C19H13FN4.C19H14N4.C17H13N5/c24-16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14;20-13-3-1-12(2-4-13)18-24-17-11-14(21)5-6-16(17)19(25-18)23-15-7-9-22-10-8-15;20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15;1-2-6-15(7-3-1)21-19-16-8-4-5-9-17(16)22-18(23-19)14-10-12-20-13-11-14;1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15/h1-13,24H,(H,21,22,23);1-11H,21H2,(H,22,23,24,25);1-12H,(H,21,22,23,24);1-13H,(H,21,22,23);1-11H,(H2,18,19,20,21,22)
InChIKeyTZFFABCLYBHSRE-UHFFFAOYSA-N
MW1546.73 g/mol
LogP21.68
Rot. Bonds15

About 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol

2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol (PubChem CID 161027744) has the molecular formula C94H69F2N21O and a molecular weight of 1546.73 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol
PubChem CID161027744
Molecular FormulaC94H69F2N21O
Molecular Weight1546.73 g/mol
Exact Mass1545.60
IUPAC Name2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESFc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1.Nc1ccc2c(Nc3ccncc3)nc(-c3ccc(F)cc3)nc2c1.Oc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.c1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O.C19H14FN5.C19H13FN4.C19H14N4.C17H13N5/c24-16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14;20-13-3-1-12(2-4-13)18-24-17-11-14(21)5-6-16(17)19(25-18)23-15-7-9-22-10-8-15;20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15;1-2-6-15(7-3-1)21-19-16-8-4-5-9-17(16)22-18(23-19)14-10-12-20-13-11-14;1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15/h1-13,24H,(H,21,22,23);1-11H,21H2,(H,22,23,24,25);1-12H,(H,21,22,23,24);1-13H,(H,21,22,23);1-11H,(H2,18,19,20,21,22)
InChIKeyTZFFABCLYBHSRE-UHFFFAOYSA-N
XLogP21.68
TPSA302.65 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001546.73
LogP ≤ 521.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol with MolForge

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Related Compounds

3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenol
CID 11588053
2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol
CID 71610729
3-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl]amino]phenol
CID 16050877
3-[[5-fluoro-4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]phenol
CID 22060948
2-[difluoro-(4-fluorophenyl)methyl]-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;quinazoline
CID 159060627
3-[9-phenyl-8-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl]phenol
CID 89454524
3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
CID 91031981
2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-phenylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol
CID 159143875
5-(7-fluoro-1H-indazol-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-pyrazolo[5,4-c]pyridin-1-ylphenol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-4-ylphenol
CID 159475927
2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoro-6-methylpyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-fluoropyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-aminobutyl]amino]-5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-4-methylphenol;2-[4-[[(2R)-2-amino-4-methylpentyl]amino]quinazolin-2-yl]-4-methylphenol
CID 160205088

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol?
The IUPAC name of 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol (CID 161027744) is 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol is Fc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1.Nc1ccc2c(Nc3ccncc3)nc(-c3ccc(F)cc3)nc2c1.Oc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.c1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol?
The InChIKey is TZFFABCLYBHSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O.C19H14FN5.C19H13FN4.C19H14N4.C17H13N5/c24-16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14;20-13-3-1-12(2-4-13)18-24-17-11-14(21)5-6-16(17)19(25-18)23-15-7-9-22-10-8-15;20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15;1-2-6-15(7-3-1)21-19-16-8-4-5-9-17(16)22-18(23-19)14-10-12-20-13-11-14;1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15/h1-13,24H,(H,21,22,23);1-11H,21H2,(H,22,23,24,25);1-12H,(H,21,22,23,24);1-13H,(H,21,22,23);1-11H,(H2,18,19,20,21,22).
What are the key properties of 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol?
2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol has a molecular weight of 1546.73 g/mol, XLogP of 21.68, 15 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-pyridin-4-ylquinazolin-4-amine;2-(4-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-phenyl-2-pyridin-4-ylquinazolin-4-amine;3-[(2-phenylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 161027744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).