8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane

C23H27N7O3 — CID 142468444

IUPAC8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
SMILESC1CCOC1.COCc1cccc(Cn2cc(-c3nc(N)nc4c(OC)cccc34)nn2)n1
InChIInChI=1S/C19H19N7O2.C4H8O/c1-27-11-13-6-3-5-12(21-13)9-26-10-15(24-25-26)17-14-7-4-8-16(28-2)18(14)23-19(20)22-17;1-2-4-5-3-1/h3-8,10H,9,11H2,1-2H3,(H2,20,22,23);1-4H2
InChIKeyRLGYUHGJCWIOBV-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.87
Rot. Bonds6

About 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane

8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane (PubChem CID 142468444) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane.

Molecular Properties

Compound Name8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
PubChem CID142468444
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
SMILESC1CCOC1.COCc1cccc(Cn2cc(-c3nc(N)nc4c(OC)cccc34)nn2)n1
InChIInChI=1S/C19H19N7O2.C4H8O/c1-27-11-13-6-3-5-12(21-13)9-26-10-15(24-25-26)17-14-7-4-8-16(28-2)18(14)23-19(20)22-17;1-2-4-5-3-1/h3-8,10H,9,11H2,1-2H3,(H2,20,22,23);1-4H2
InChIKeyRLGYUHGJCWIOBV-UHFFFAOYSA-N
XLogP2.87
TPSA123.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane?
The IUPAC name of 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane (CID 142468444) is 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane.
What is the SMILES notation for 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane?
The canonical SMILES for 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane is C1CCOC1.COCc1cccc(Cn2cc(-c3nc(N)nc4c(OC)cccc34)nn2)n1.
What is the InChIKey of 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane?
The InChIKey is RLGYUHGJCWIOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2.C4H8O/c1-27-11-13-6-3-5-12(21-13)9-26-10-15(24-25-26)17-14-7-4-8-16(28-2)18(14)23-19(20)22-17;1-2-4-5-3-1/h3-8,10H,9,11H2,1-2H3,(H2,20,22,23);1-4H2.
What are the key properties of 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane?
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane has a molecular weight of 449.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane is sourced from PubChem (CID 142468444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).