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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Related Compounds

8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213798
8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
CID 134520680
8-[(2S)-2-amino-4-methylpentoxy]-4-(difluoromethyl)-6-methylbenzo[c][2,7]naphthyridin-5-one;8-[(2S)-2-amino-4-methylpentoxy]-9-(4-fluorophenyl)-6-methylbenzo[c][2,7]naphthyridin-5-one
CID 159544300
8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one
CID 144565582
8-[(2S)-2-amino-4-methylpentoxy]chromeno[3,4-c]pyridin-5-one;methyl 4-chloropyridine-3-carboxylate
CID 159359387
8-[(2S)-2-amino-4-methylpentoxy]-9-(difluoromethyl)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213949
8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213873
tert-butyl N-[(2S)-4-methyl-1-(5-oxo-6-propan-2-ylbenzo[c][2,7]naphthyridin-8-yl)oxypentan-2-yl]carbamate
CID 86710313
[5-[6-(2-hydroxyethyl)-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]carbamic acid
CID 90035067
8-[(2S)-2-amino-4-methylpentoxy]-7-fluoro-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73214373
8-[(2S)-2-amino-4-methylpentoxy]-9-chloro-2,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73214296
8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one
CID 123759933

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).