2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C100H91ClN26O3 — CID 161293452

IUPAC2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.Cc1cc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)n[nH]1.Clc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H23N5.C20H16ClN5.C20H20N6.C19H15N5O2.C19H17N5O/c1-14-13-19(27-26-14)24-21-17-7-5-6-8-18(17)23-20(25-21)15-9-11-16(12-10-15)22(2,3)4;21-14-9-7-13(8-10-14)19-22-16-4-2-1-3-15(16)20(24-19)23-18-11-17(25-26-18)12-5-6-12;1-13-12-18(25-24-13)22-20-16-6-4-5-7-17(16)21-19(23-20)14-8-10-15(11-9-14)26(2)3;1-11-8-17(24-23-11)21-19-13-4-2-3-5-14(13)20-18(22-19)12-6-7-15-16(9-12)26-10-25-15;1-12-10-17(24-23-12)21-19-15-8-3-4-9-16(15)20-18(22-19)13-6-5-7-14(11-13)25-2/h5-13H,1-4H3,(H2,23,24,25,26,27);1-4,7-12H,5-6H2,(H2,22,23,24,25,26);4-12H,1-3H3,(H2,21,22,23,24,25);2-9H,10H2,1H3,(H2,20,21,22,23,24);3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyVGQXJEOWSFXLNC-UHFFFAOYSA-N
MW1740.46 g/mol
LogP22.68
Rot. Bonds18

About 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 161293452) has the molecular formula C100H91ClN26O3 and a molecular weight of 1740.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID161293452
Molecular FormulaC100H91ClN26O3
Molecular Weight1740.46 g/mol
Exact Mass1738.75
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.Cc1cc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)n[nH]1.Clc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H23N5.C20H16ClN5.C20H20N6.C19H15N5O2.C19H17N5O/c1-14-13-19(27-26-14)24-21-17-7-5-6-8-18(17)23-20(25-21)15-9-11-16(12-10-15)22(2,3)4;21-14-9-7-13(8-10-14)19-22-16-4-2-1-3-15(16)20(24-19)23-18-11-17(25-26-18)12-5-6-12;1-13-12-18(25-24-13)22-20-16-6-4-5-7-17(16)21-19(23-20)14-8-10-15(11-9-14)26(2)3;1-11-8-17(24-23-11)21-19-13-4-2-3-5-14(13)20-18(22-19)12-6-7-15-16(9-12)26-10-25-15;1-12-10-17(24-23-12)21-19-15-8-3-4-9-16(15)20-18(22-19)13-6-5-7-14(11-13)25-2/h5-13H,1-4H3,(H2,23,24,25,26,27);1-4,7-12H,5-6H2,(H2,22,23,24,25,26);4-12H,1-3H3,(H2,21,22,23,24,25);2-9H,10H2,1H3,(H2,20,21,22,23,24);3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyVGQXJEOWSFXLNC-UHFFFAOYSA-N
XLogP22.68
TPSA363.38 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001740.46
LogP ≤ 522.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 157290609
2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine;6-[2-tert-butyl-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
CID 160411043

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 161293452) is 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is COc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.Cc1cc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)n[nH]1.Clc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is VGQXJEOWSFXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5.C20H16ClN5.C20H20N6.C19H15N5O2.C19H17N5O/c1-14-13-19(27-26-14)24-21-17-7-5-6-8-18(17)23-20(25-21)15-9-11-16(12-10-15)22(2,3)4;21-14-9-7-13(8-10-14)19-22-16-4-2-1-3-15(16)20(24-19)23-18-11-17(25-26-18)12-5-6-12;1-13-12-18(25-24-13)22-20-16-6-4-5-7-17(16)21-19(23-20)14-8-10-15(11-9-14)26(2)3;1-11-8-17(24-23-11)21-19-13-4-2-3-5-14(13)20-18(22-19)12-6-7-15-16(9-12)26-10-25-15;1-12-10-17(24-23-12)21-19-15-8-3-4-9-16(15)20-18(22-19)13-6-5-7-14(11-13)25-2/h5-13H,1-4H3,(H2,23,24,25,26,27);1-4,7-12H,5-6H2,(H2,22,23,24,25,26);4-12H,1-3H3,(H2,21,22,23,24,25);2-9H,10H2,1H3,(H2,20,21,22,23,24);3-11H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 1740.46 g/mol, XLogP of 22.68, 18 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-tert-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-(dimethylamino)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 161293452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).