4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline

C20H16N4O2 — CID 71181256

IUPAC4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
SMILESCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(OC)c3c2)cn1
InChIInChI=1S/C20H16N4O2/c1-25-18-8-6-14(12-22-18)13-5-7-17-16(10-13)20(26-2)24-19(23-17)15-4-3-9-21-11-15/h3-12H,1-2H3
InChIKeyQJILRJLSSCEBCQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.77
Rot. Bonds4

About 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline

4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline (PubChem CID 71181256) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
PubChem CID71181256
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
SMILESCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(OC)c3c2)cn1
InChIInChI=1S/C20H16N4O2/c1-25-18-8-6-14(12-22-18)13-5-7-17-16(10-13)20(26-2)24-19(23-17)15-4-3-9-21-11-15/h3-12H,1-2H3
InChIKeyQJILRJLSSCEBCQ-UHFFFAOYSA-N
XLogP3.77
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline (CID 71181256) is 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline is COc1ccc(-c2ccc3nc(-c4cccnc4)nc(OC)c3c2)cn1.
What is the InChIKey of 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
The InChIKey is QJILRJLSSCEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-25-18-8-6-14(12-22-18)13-5-7-17-16(10-13)20(26-2)24-19(23-17)15-4-3-9-21-11-15/h3-12H,1-2H3.
What are the key properties of 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline has a molecular weight of 344.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71181256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).