6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline

C20H21N3O3 — CID 155540675

IUPAC6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline
SMILESCOc1ccc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C20H21N3O3/c1-13-17-9-15(14-3-4-19(24-2)21-11-14)10-18(20(17)23-12-22-13)26-16-5-7-25-8-6-16/h3-4,9-12,16H,5-8H2,1-2H3
InChIKeyHCUHUHYJALOPBO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.57
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline

6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline (PubChem CID 155540675) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline
PubChem CID155540675
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline
SMILESCOc1ccc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C20H21N3O3/c1-13-17-9-15(14-3-4-19(24-2)21-11-14)10-18(20(17)23-12-22-13)26-16-5-7-25-8-6-16/h3-4,9-12,16H,5-8H2,1-2H3
InChIKeyHCUHUHYJALOPBO-UHFFFAOYSA-N
XLogP3.57
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline (CID 155540675) is 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline is COc1ccc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline?
The InChIKey is HCUHUHYJALOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-17-9-15(14-3-4-19(24-2)21-11-14)10-18(20(17)23-12-22-13)26-16-5-7-25-8-6-16/h3-4,9-12,16H,5-8H2,1-2H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline?
6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline has a molecular weight of 351.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline is sourced from PubChem (CID 155540675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).