4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one

C18H16N6O4 — CID 134386437

IUPAC4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one
SMILESCONc1nc(=O)n(Nc2nc(=O)[nH]c3c(OC)cccc23)c2ccccc12
InChIInChI=1S/C18H16N6O4/c1-27-13-9-5-7-11-14(13)19-17(25)20-15(11)22-24-12-8-4-3-6-10(12)16(23-28-2)21-18(24)26/h3-9H,1-2H3,(H,21,23,26)(H2,19,20,22,25)
InChIKeyRUOPZJKGRGLGGI-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.49
Rot. Bonds5

About 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one

4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one (PubChem CID 134386437) has the molecular formula C18H16N6O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one.

Molecular Properties

Compound Name4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one
PubChem CID134386437
Molecular FormulaC18H16N6O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one
SMILESCONc1nc(=O)n(Nc2nc(=O)[nH]c3c(OC)cccc23)c2ccccc12
InChIInChI=1S/C18H16N6O4/c1-27-13-9-5-7-11-14(13)19-17(25)20-15(11)22-24-12-8-4-3-6-10(12)16(23-28-2)21-18(24)26/h3-9H,1-2H3,(H,21,23,26)(H2,19,20,22,25)
InChIKeyRUOPZJKGRGLGGI-UHFFFAOYSA-N
XLogP1.49
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one?
The IUPAC name of 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one (CID 134386437) is 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one.
What is the SMILES notation for 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one?
The canonical SMILES for 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one is CONc1nc(=O)n(Nc2nc(=O)[nH]c3c(OC)cccc23)c2ccccc12.
What is the InChIKey of 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one?
The InChIKey is RUOPZJKGRGLGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4/c1-27-13-9-5-7-11-14(13)19-17(25)20-15(11)22-24-12-8-4-3-6-10(12)16(23-28-2)21-18(24)26/h3-9H,1-2H3,(H,21,23,26)(H2,19,20,22,25).
What are the key properties of 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one?
4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one has a molecular weight of 380.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one is sourced from PubChem (CID 134386437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).