8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one

C24H26N4O5 — CID 118467673

IUPAC8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2c(cc(C(=O)N3CCOCC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)NC1=O
InChIInChI=1S/C24H26N4O5/c1-13(2)20-22(29)26-18-11-14(23(30)28-6-8-32-9-7-28)10-16(21(18)33-20)17-12-27(3)24(31)19-15(17)4-5-25-19/h4-5,10-13,20,25H,6-9H2,1-3H3,(H,26,29)
InChIKeyPZEAIFBAKMIROG-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.36
Rot. Bonds3

About 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one

8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one (PubChem CID 118467673) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
PubChem CID118467673
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2c(cc(C(=O)N3CCOCC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)NC1=O
InChIInChI=1S/C24H26N4O5/c1-13(2)20-22(29)26-18-11-14(23(30)28-6-8-32-9-7-28)10-16(21(18)33-20)17-12-27(3)24(31)19-15(17)4-5-25-19/h4-5,10-13,20,25H,6-9H2,1-3H3,(H,26,29)
InChIKeyPZEAIFBAKMIROG-UHFFFAOYSA-N
XLogP2.36
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one (CID 118467673) is 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one is CC(C)C1Oc2c(cc(C(=O)N3CCOCC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)NC1=O.
What is the InChIKey of 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is PZEAIFBAKMIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-13(2)20-22(29)26-18-11-14(23(30)28-6-8-32-9-7-28)10-16(21(18)33-20)17-12-27(3)24(31)19-15(17)4-5-25-19/h4-5,10-13,20,25H,6-9H2,1-3H3,(H,26,29).
What are the key properties of 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 450.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(morpholine-4-carbonyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 118467673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).