6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline

C20H18N8O3 — CID 57239695

IUPAC6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline
SMILESCOc1cnc2c(-c3ncnc4cc(OCCn5ccnn5)c(OC)cc34)c[nH]c2n1
InChIInChI=1S/C20H18N8O3/c1-29-15-7-12-14(8-16(15)31-6-5-28-4-3-25-27-28)23-11-24-18(12)13-9-22-20-19(13)21-10-17(26-20)30-2/h3-4,7-11H,5-6H2,1-2H3,(H,22,26)
InChIKeySITRYYYHNBSPMG-UHFFFAOYSA-N
MW418.42 g/mol
LogP2.26
Rot. Bonds7

About 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline

6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline (PubChem CID 57239695) has the molecular formula C20H18N8O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline.

Molecular Properties

Compound Name6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline
PubChem CID57239695
Molecular FormulaC20H18N8O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline
SMILESCOc1cnc2c(-c3ncnc4cc(OCCn5ccnn5)c(OC)cc34)c[nH]c2n1
InChIInChI=1S/C20H18N8O3/c1-29-15-7-12-14(8-16(15)31-6-5-28-4-3-25-27-28)23-11-24-18(12)13-9-22-20-19(13)21-10-17(26-20)30-2/h3-4,7-11H,5-6H2,1-2H3,(H,22,26)
InChIKeySITRYYYHNBSPMG-UHFFFAOYSA-N
XLogP2.26
TPSA125.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline?
The IUPAC name of 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline (CID 57239695) is 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline.
What is the SMILES notation for 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline?
The canonical SMILES for 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline is COc1cnc2c(-c3ncnc4cc(OCCn5ccnn5)c(OC)cc34)c[nH]c2n1.
What is the InChIKey of 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline?
The InChIKey is SITRYYYHNBSPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O3/c1-29-15-7-12-14(8-16(15)31-6-5-28-4-3-25-27-28)23-11-24-18(12)13-9-22-20-19(13)21-10-17(26-20)30-2/h3-4,7-11H,5-6H2,1-2H3,(H,22,26).
What are the key properties of 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline?
6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline has a molecular weight of 418.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline is sourced from PubChem (CID 57239695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).