8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine

C26H24N8O — CID 54585212

IUPAC8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cn1
InChIInChI=1S/C26H24N8O/c1-18-5-6-19(15-27-18)23-4-2-3-20-16-28-25(31-24(20)23)30-21-7-9-22(10-8-21)34-17-29-26(32-34)33-11-13-35-14-12-33/h2-10,15-17H,11-14H2,1H3,(H,28,30,31)
InChIKeyYLCVJWYVKHOSRE-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.16
Rot. Bonds5

About 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine

8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (PubChem CID 54585212) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
PubChem CID54585212
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cn1
InChIInChI=1S/C26H24N8O/c1-18-5-6-19(15-27-18)23-4-2-3-20-16-28-25(31-24(20)23)30-21-7-9-22(10-8-21)34-17-29-26(32-34)33-11-13-35-14-12-33/h2-10,15-17H,11-14H2,1H3,(H,28,30,31)
InChIKeyYLCVJWYVKHOSRE-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 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The IUPAC name of 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (CID 54585212) is 8-(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 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The canonical SMILES for 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine is Cc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cn1.
What is the InChIKey of 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is YLCVJWYVKHOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-18-5-6-19(15-27-18)23-4-2-3-20-16-28-25(31-24(20)23)30-21-7-9-22(10-8-21)34-17-29-26(32-34)33-11-13-35-14-12-33/h2-10,15-17H,11-14H2,1H3,(H,28,30,31).
What are the key properties of 8-(6-methyl-3-pyridinyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
8-(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 8-(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 54585212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).