8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one

C19H22N4O4 — CID 146357360

IUPAC8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILES[H]/N=C/c1c(-c2cc(OC)cc3c2OC(C(C)C)C(=O)N3)cn(C)c(=O)c1N
InChIInChI=1S/C19H22N4O4/c1-9(2)16-18(24)22-14-6-10(26-4)5-11(17(14)27-16)13-8-23(3)19(25)15(21)12(13)7-20/h5-9,16,20H,21H2,1-4H3,(H,22,24)/b20-7+
InChIKeyRCOWYFFEEXIDOA-IFRROFPPSA-N
MW370.41 g/mol
LogP2.00
Rot. Bonds4

About 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one

8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one (PubChem CID 146357360) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one
PubChem CID146357360
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILES[H]/N=C/c1c(-c2cc(OC)cc3c2OC(C(C)C)C(=O)N3)cn(C)c(=O)c1N
InChIInChI=1S/C19H22N4O4/c1-9(2)16-18(24)22-14-6-10(26-4)5-11(17(14)27-16)13-8-23(3)19(25)15(21)12(13)7-20/h5-9,16,20H,21H2,1-4H3,(H,22,24)/b20-7+
InChIKeyRCOWYFFEEXIDOA-IFRROFPPSA-N
XLogP2.00
TPSA119.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one (CID 146357360) is 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one is [H]/N=C/c1c(-c2cc(OC)cc3c2OC(C(C)C)C(=O)N3)cn(C)c(=O)c1N.
What is the InChIKey of 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is RCOWYFFEEXIDOA-IFRROFPPSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-9(2)16-18(24)22-14-6-10(26-4)5-11(17(14)27-16)13-8-23(3)19(25)15(21)12(13)7-20/h5-9,16,20H,21H2,1-4H3,(H,22,24)/b20-7+.
What are the key properties of 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 370.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-4-methanimidoyl-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-2-propan-2-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 146357360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).