9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol

C19H23N3O2 — CID 166656655

IUPAC9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol
SMILESCc1ccc(N)cc1-c1cnc2c(c1)N1CCOCC1CC2(C)O
InChIInChI=1S/C19H23N3O2/c1-12-3-4-14(20)8-16(12)13-7-17-18(21-10-13)19(2,23)9-15-11-24-6-5-22(15)17/h3-4,7-8,10,15,23H,5-6,9,11,20H2,1-2H3
InChIKeyZNSVKOGZLHSXQT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.46
Rot. Bonds1

About 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol

9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol (PubChem CID 166656655) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol.

Molecular Properties

Compound Name9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol
PubChem CID166656655
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol
SMILESCc1ccc(N)cc1-c1cnc2c(c1)N1CCOCC1CC2(C)O
InChIInChI=1S/C19H23N3O2/c1-12-3-4-14(20)8-16(12)13-7-17-18(21-10-13)19(2,23)9-15-11-24-6-5-22(15)17/h3-4,7-8,10,15,23H,5-6,9,11,20H2,1-2H3
InChIKeyZNSVKOGZLHSXQT-UHFFFAOYSA-N
XLogP2.46
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol?
The IUPAC name of 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol (CID 166656655) is 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol.
What is the SMILES notation for 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol?
The canonical SMILES for 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol is Cc1ccc(N)cc1-c1cnc2c(c1)N1CCOCC1CC2(C)O.
What is the InChIKey of 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol?
The InChIKey is ZNSVKOGZLHSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-3-4-14(20)8-16(12)13-7-17-18(21-10-13)19(2,23)9-15-11-24-6-5-22(15)17/h3-4,7-8,10,15,23H,5-6,9,11,20H2,1-2H3.
What are the key properties of 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol?
9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol has a molecular weight of 325.41 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol is sourced from PubChem (CID 166656655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).