[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol

C17H17N3O2 — CID 11011881

IUPAC[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol
SMILESCNc1ccc2cc3ccc4c(c3nc2c1CO)COCN4
InChIInChI=1S/C17H17N3O2/c1-18-14-4-2-10-6-11-3-5-15-13(8-22-9-19-15)17(11)20-16(10)12(14)7-21/h2-6,18-19,21H,7-9H2,1H3
InChIKeyBAOIKPFOJQAXNK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.82
Rot. Bonds2

About [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol

[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol (PubChem CID 11011881) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol.

Molecular Properties

Compound Name[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol
PubChem CID11011881
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol
SMILESCNc1ccc2cc3ccc4c(c3nc2c1CO)COCN4
InChIInChI=1S/C17H17N3O2/c1-18-14-4-2-10-6-11-3-5-15-13(8-22-9-19-15)17(11)20-16(10)12(14)7-21/h2-6,18-19,21H,7-9H2,1H3
InChIKeyBAOIKPFOJQAXNK-UHFFFAOYSA-N
XLogP2.82
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol?
The IUPAC name of [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol (CID 11011881) is [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol.
What is the SMILES notation for [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol?
The canonical SMILES for [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol is CNc1ccc2cc3ccc4c(c3nc2c1CO)COCN4.
What is the InChIKey of [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol?
The InChIKey is BAOIKPFOJQAXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-18-14-4-2-10-6-11-3-5-15-13(8-22-9-19-15)17(11)20-16(10)12(14)7-21/h2-6,18-19,21H,7-9H2,1H3.
What are the key properties of [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol?
[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol has a molecular weight of 295.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol is sourced from PubChem (CID 11011881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).