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

C17H17N3O2 — CID 11098446

IUPAC(10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol
SMILESCN1COCc2c1ccc1cc3ccc(N)c(CO)c3nc21
InChIInChI=1S/C17H17N3O2/c1-20-9-22-8-13-15(20)5-3-11-6-10-2-4-14(18)12(7-21)16(10)19-17(11)13/h2-6,21H,7-9,18H2,1H3
InChIKeyXZRSTLSQJRMMEK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.39
Rot. Bonds1

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

(10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol (PubChem CID 11098446) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol.

Molecular Properties

Compound Name(10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol
PubChem CID11098446
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol
SMILESCN1COCc2c1ccc1cc3ccc(N)c(CO)c3nc21
InChIInChI=1S/C17H17N3O2/c1-20-9-22-8-13-15(20)5-3-11-6-10-2-4-14(18)12(7-21)16(10)19-17(11)13/h2-6,21H,7-9,18H2,1H3
InChIKeyXZRSTLSQJRMMEK-UHFFFAOYSA-N
XLogP2.39
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol?
The IUPAC name of (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol (CID 11098446) is (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol.
What is the SMILES notation for (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol?
The canonical SMILES for (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol is CN1COCc2c1ccc1cc3ccc(N)c(CO)c3nc21.
What is the InChIKey of (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol?
The InChIKey is XZRSTLSQJRMMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-9-22-8-13-15(20)5-3-11-6-10-2-4-14(18)12(7-21)16(10)19-17(11)13/h2-6,21H,7-9,18H2,1H3.
What are the key properties of (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol?
(10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol has a molecular weight of 295.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10-amino-4-methyl-1,3-dihydro-[1,3]oxazino[4,5-c]acridin-11-yl)methanol is sourced from PubChem (CID 11098446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).