1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone

C21H28N4O5 — CID 58963070

IUPAC1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone
SMILESCOc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C21H28N4O5/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25/h10-11,14,17H,5-9,12H2,1-4H3
InChIKeyRLGGLUTURMZEFN-UHFFFAOYSA-N
MW416.48 g/mol
LogP1.52
Rot. Bonds6

About 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone

1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 58963070) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone
PubChem CID58963070
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Name1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone
SMILESCOc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC
InChIInChI=1S/C21H28N4O5/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25/h10-11,14,17H,5-9,12H2,1-4H3
InChIKeyRLGGLUTURMZEFN-UHFFFAOYSA-N
XLogP1.52
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone (CID 58963070) is 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone is COc1cc2nc(N3CCOCC3)nc(OC3CC(C(C)=O)N(C)C3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is RLGGLUTURMZEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-13(26)17-9-14(12-24(17)2)30-20-15-10-18(27-3)19(28-4)11-16(15)22-21(23-20)25-5-7-29-8-6-25/h10-11,14,17H,5-9,12H2,1-4H3.
What are the key properties of 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone?
1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 416.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 58963070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).