5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one

C21H24N4O5 — CID 90151326

IUPAC5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)n(OC(C)N3CCOCC3)c(-c3ccccn3)nc2c1
InChIInChI=1S/C21H24N4O5/c1-14(24-8-10-29-11-9-24)30-25-20(16-6-4-5-7-22-16)23-17-12-15(27-2)13-18(28-3)19(17)21(25)26/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOHFPWNKVKATMPD-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.58
Rot. Bonds6

About 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one

5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one (PubChem CID 90151326) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one
PubChem CID90151326
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)n(OC(C)N3CCOCC3)c(-c3ccccn3)nc2c1
InChIInChI=1S/C21H24N4O5/c1-14(24-8-10-29-11-9-24)30-25-20(16-6-4-5-7-22-16)23-17-12-15(27-2)13-18(28-3)19(17)21(25)26/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOHFPWNKVKATMPD-UHFFFAOYSA-N
XLogP1.58
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one?
The IUPAC name of 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one (CID 90151326) is 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one.
What is the SMILES notation for 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one?
The canonical SMILES for 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one is COc1cc(OC)c2c(=O)n(OC(C)N3CCOCC3)c(-c3ccccn3)nc2c1.
What is the InChIKey of 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one?
The InChIKey is OHFPWNKVKATMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-14(24-8-10-29-11-9-24)30-25-20(16-6-4-5-7-22-16)23-17-12-15(27-2)13-18(28-3)19(17)21(25)26/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one?
5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one has a molecular weight of 412.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-(1-morpholin-4-ylethoxy)-2-pyridin-2-ylquinazolin-4-one is sourced from PubChem (CID 90151326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).