8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one

C20H23N3O2 — CID 73213873

IUPAC8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC3CC3)ccc21
InChIInChI=1S/C20H23N3O2/c1-12-19-17(7-8-22-12)16-6-5-15(10-18(16)23(2)20(19)24)25-11-14(21)9-13-3-4-13/h5-8,10,13-14H,3-4,9,11,21H2,1-2H3/t14-/m0/s1
InChIKeyNJUOJAQINHVMBT-AWEZNQCLSA-N
MW337.42 g/mol
LogP2.90
Rot. Bonds5

About 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one

8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one (PubChem CID 73213873) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
PubChem CID73213873
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC3CC3)ccc21
InChIInChI=1S/C20H23N3O2/c1-12-19-17(7-8-22-12)16-6-5-15(10-18(16)23(2)20(19)24)25-11-14(21)9-13-3-4-13/h5-8,10,13-14H,3-4,9,11,21H2,1-2H3/t14-/m0/s1
InChIKeyNJUOJAQINHVMBT-AWEZNQCLSA-N
XLogP2.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.90
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-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one (CID 73213873) is 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one is Cc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC3CC3)ccc21.
What is the InChIKey of 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The InChIKey is NJUOJAQINHVMBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-19-17(7-8-22-12)16-6-5-15(10-18(16)23(2)20(19)24)25-11-14(21)9-13-3-4-13/h5-8,10,13-14H,3-4,9,11,21H2,1-2H3/t14-/m0/s1.
What are the key properties of 8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one has a molecular weight of 337.42 g/mol, XLogP of 2.90, 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-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 73213873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).