8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one

C20H25N3O2 — CID 73213798

IUPAC8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC(C)C)ccc21
InChIInChI=1S/C20H25N3O2/c1-12(2)9-14(21)11-25-15-5-6-16-17-7-8-22-13(3)19(17)20(24)23(4)18(16)10-15/h5-8,10,12,14H,9,11,21H2,1-4H3/t14-/m0/s1
InChIKeyHRMGBYSRWUAWIG-AWEZNQCLSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds5

About 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one

8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one (PubChem CID 73213798) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
PubChem CID73213798
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC(C)C)ccc21
InChIInChI=1S/C20H25N3O2/c1-12(2)9-14(21)11-25-15-5-6-16-17-7-8-22-13(3)19(17)20(24)23(4)18(16)10-15/h5-8,10,12,14H,9,11,21H2,1-4H3/t14-/m0/s1
InChIKeyHRMGBYSRWUAWIG-AWEZNQCLSA-N
XLogP3.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one (CID 73213798) is 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one is Cc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC(C)C)ccc21.
What is the InChIKey of 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The InChIKey is HRMGBYSRWUAWIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12(2)9-14(21)11-25-15-5-6-16-17-7-8-22-13(3)19(17)20(24)23(4)18(16)10-15/h5-8,10,12,14H,9,11,21H2,1-4H3/t14-/m0/s1.
What are the key properties of 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one has a molecular weight of 339.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 73213798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).