2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

C22H24N8O2 — CID 127025335

IUPAC2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCN1CCCC1
InChIInChI=1S/C22H24N8O2/c1-31-18-13-17-15(12-19(18)32-11-10-29-8-4-5-9-29)21(26-14-25-17)30-22(23)27-20(28-30)16-6-2-3-7-24-16/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,23,27,28)
InChIKeyZPGWPGCXSHORDA-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.34
Rot. Bonds7

About 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 127025335) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID127025335
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCN1CCCC1
InChIInChI=1S/C22H24N8O2/c1-31-18-13-17-15(12-19(18)32-11-10-29-8-4-5-9-29)21(26-14-25-17)30-22(23)27-20(28-30)16-6-2-3-7-24-16/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,23,27,28)
InChIKeyZPGWPGCXSHORDA-UHFFFAOYSA-N
XLogP2.34
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 127025335) is 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCN1CCCC1.
What is the InChIKey of 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is ZPGWPGCXSHORDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-31-18-13-17-15(12-19(18)32-11-10-29-8-4-5-9-29)21(26-14-25-17)30-22(23)27-20(28-30)16-6-2-3-7-24-16/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,23,27,28).
What are the key properties of 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 432.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 127025335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).