4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one

C15H19N3O4 — CID 110169094

IUPAC4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(N3CCOCC3)c(N)c2cc1OC
InChIInChI=1S/C15H19N3O4/c1-20-11-7-9-10(8-12(11)21-2)17-15(19)14(13(9)16)18-3-5-22-6-4-18/h7-8H,3-6H2,1-2H3,(H3,16,17,19)
InChIKeyQIJQBKULIRCIGA-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.96
Rot. Bonds3

About 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one

4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one (PubChem CID 110169094) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one
PubChem CID110169094
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(N3CCOCC3)c(N)c2cc1OC
InChIInChI=1S/C15H19N3O4/c1-20-11-7-9-10(8-12(11)21-2)17-15(19)14(13(9)16)18-3-5-22-6-4-18/h7-8H,3-6H2,1-2H3,(H3,16,17,19)
InChIKeyQIJQBKULIRCIGA-UHFFFAOYSA-N
XLogP0.96
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one?
The IUPAC name of 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one (CID 110169094) is 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one?
The canonical SMILES for 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(N3CCOCC3)c(N)c2cc1OC.
What is the InChIKey of 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one?
The InChIKey is QIJQBKULIRCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-20-11-7-9-10(8-12(11)21-2)17-15(19)14(13(9)16)18-3-5-22-6-4-18/h7-8H,3-6H2,1-2H3,(H3,16,17,19).
What are the key properties of 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one?
4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one has a molecular weight of 305.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one is sourced from PubChem (CID 110169094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).