8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one

C19H23N3O2 — CID 134520695

IUPAC8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)c(=O)n(C)c1cnccc21
InChIInChI=1S/C19H23N3O2/c1-12(2)8-13(20)11-24-14-4-5-15-16-6-7-21-10-18(16)22(3)19(23)17(15)9-14/h4-7,9-10,12-13H,8,11,20H2,1-3H3/t13-/m0/s1
InChIKeyAFWIYWRRDKQYFS-ZDUSSCGKSA-N
MW325.41 g/mol
LogP2.84
Rot. Bonds5

About 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one

8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one (PubChem CID 134520695) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
PubChem CID134520695
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)c(=O)n(C)c1cnccc21
InChIInChI=1S/C19H23N3O2/c1-12(2)8-13(20)11-24-14-4-5-15-16-6-7-21-10-18(16)22(3)19(23)17(15)9-14/h4-7,9-10,12-13H,8,11,20H2,1-3H3/t13-/m0/s1
InChIKeyAFWIYWRRDKQYFS-ZDUSSCGKSA-N
XLogP2.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.84
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]-5-methylbenzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one (CID 134520695) is 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one is CC(C)C[C@H](N)COc1ccc2c(c1)c(=O)n(C)c1cnccc21.
What is the InChIKey of 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one?
The InChIKey is AFWIYWRRDKQYFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)8-13(20)11-24-14-4-5-15-16-6-7-21-10-18(16)22(3)19(23)17(15)9-14/h4-7,9-10,12-13H,8,11,20H2,1-3H3/t13-/m0/s1.
What are the key properties of 8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one?
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one has a molecular weight of 325.41 g/mol, XLogP of 2.84, 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]-5-methylbenzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 134520695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).