2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)

C97H87N31O — CID 160867602

IUPAC2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)
SMILESC#Cc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(N)=O)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C3CC3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H18N6.2C20H20N6.C19H14N6.C18H15N7O/c1-12-21-20(26-25-12)24-19-16-8-4-5-9-17(16)22-18(23-19)15-7-3-2-6-14(15)13-10-11-13;2*1-12(2)14-8-4-5-9-15(14)18-22-17-11-7-6-10-16(17)19(23-18)24-20-21-13(3)25-26-20;1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;1-10-20-18(25-24-10)23-17-13-8-4-5-9-14(13)21-16(22-17)12-7-3-2-6-11(12)15(19)26/h2-9,13H,10-11H2,1H3,(H2,21,22,23,24,25,26);2*4-12H,1-3H3,(H2,21,22,23,24,25,26);1,4-11H,2H3,(H2,20,21,22,23,24,25);2-9H,1H3,(H2,19,26)(H2,20,21,22,23,24,25)
InChIKeySLIGQTBVPXKBTM-UHFFFAOYSA-N
MW1702.98 g/mol
LogP19.54
Rot. Bonds19

About 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)

2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine) (PubChem CID 160867602) has the molecular formula C97H87N31O and a molecular weight of 1702.98 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine).

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)
PubChem CID160867602
Molecular FormulaC97H87N31O
Molecular Weight1702.98 g/mol
Exact Mass1701.77
IUPAC Name2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)
SMILESC#Cc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(N)=O)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C3CC3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H18N6.2C20H20N6.C19H14N6.C18H15N7O/c1-12-21-20(26-25-12)24-19-16-8-4-5-9-17(16)22-18(23-19)15-7-3-2-6-14(15)13-10-11-13;2*1-12(2)14-8-4-5-9-15(14)18-22-17-11-7-6-10-16(17)19(23-18)24-20-21-13(3)25-26-20;1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;1-10-20-18(25-24-10)23-17-13-8-4-5-9-14(13)21-16(22-17)12-7-3-2-6-11(12)15(19)26/h2-9,13H,10-11H2,1H3,(H2,21,22,23,24,25,26);2*4-12H,1-3H3,(H2,21,22,23,24,25,26);1,4-11H,2H3,(H2,20,21,22,23,24,25);2-9H,1H3,(H2,19,26)(H2,20,21,22,23,24,25)
InChIKeySLIGQTBVPXKBTM-UHFFFAOYSA-N
XLogP19.54
TPSA439.99 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001702.98
LogP ≤ 519.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)?
The IUPAC name of 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine) (CID 160867602) is 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine).
What is the SMILES notation for 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)?
The canonical SMILES for 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine) is C#Cc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3C(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(C)C)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(N)=O)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C3CC3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)?
The InChIKey is SLIGQTBVPXKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6.2C20H20N6.C19H14N6.C18H15N7O/c1-12-21-20(26-25-12)24-19-16-8-4-5-9-17(16)22-18(23-19)15-7-3-2-6-14(15)13-10-11-13;2*1-12(2)14-8-4-5-9-15(14)18-22-17-11-7-6-10-16(17)19(23-18)24-20-21-13(3)25-26-20;1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;1-10-20-18(25-24-10)23-17-13-8-4-5-9-14(13)21-16(22-17)12-7-3-2-6-11(12)15(19)26/h2-9,13H,10-11H2,1H3,(H2,21,22,23,24,25,26);2*4-12H,1-3H3,(H2,21,22,23,24,25,26);1,4-11H,2H3,(H2,20,21,22,23,24,25);2-9H,1H3,(H2,19,26)(H2,20,21,22,23,24,25).
What are the key properties of 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)?
2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine) has a molecular weight of 1702.98 g/mol, XLogP of 19.54, 19 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine) is sourced from PubChem (CID 160867602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).