7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine

C26H24N8O — CID 54587174

IUPAC7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1ccc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cn1
InChIInChI=1S/C26H24N8O/c1-18-2-3-20(15-27-18)19-4-5-21-16-28-25(31-24(21)14-19)30-22-6-8-23(9-7-22)34-17-29-26(32-34)33-10-12-35-13-11-33/h2-9,14-17H,10-13H2,1H3,(H,28,30,31)
InChIKeyADWCAKSAEQUTHQ-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.16
Rot. Bonds5

About 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine

7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (PubChem CID 54587174) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
PubChem CID54587174
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1ccc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cn1
InChIInChI=1S/C26H24N8O/c1-18-2-3-20(15-27-18)19-4-5-21-16-28-25(31-24(21)14-19)30-22-6-8-23(9-7-22)34-17-29-26(32-34)33-10-12-35-13-11-33/h2-9,14-17H,10-13H2,1H3,(H,28,30,31)
InChIKeyADWCAKSAEQUTHQ-UHFFFAOYSA-N
XLogP4.16
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The IUPAC name of 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (CID 54587174) is 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The canonical SMILES for 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine is Cc1ccc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cn1.
What is the InChIKey of 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is ADWCAKSAEQUTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-18-2-3-20(15-27-18)19-4-5-21-16-28-25(31-24(21)14-19)30-22-6-8-23(9-7-22)34-17-29-26(32-34)33-10-12-35-13-11-33/h2-9,14-17H,10-13H2,1H3,(H,28,30,31).
What are the key properties of 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine has a molecular weight of 464.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 54587174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).