1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one

C23H19N3O2 — CID 58168195

IUPAC1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=C(Cc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C1CC1
InChIInChI=1S/C23H19N3O2/c27-20(15-7-8-15)13-14-5-9-16(10-6-14)25-19-11-12-24-22-21(19)17-3-1-2-4-18(17)23(28)26-22/h1-6,9-12,15H,7-8,13H2,(H2,24,25,26,28)
InChIKeyHPYIUEXCYIESFT-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.34
Rot. Bonds5

About 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one

1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58168195) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58168195
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=C(Cc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C1CC1
InChIInChI=1S/C23H19N3O2/c27-20(15-7-8-15)13-14-5-9-16(10-6-14)25-19-11-12-24-22-21(19)17-3-1-2-4-18(17)23(28)26-22/h1-6,9-12,15H,7-8,13H2,(H2,24,25,26,28)
InChIKeyHPYIUEXCYIESFT-UHFFFAOYSA-N
XLogP4.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one (CID 58168195) is 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one is O=C(Cc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C1CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is HPYIUEXCYIESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-20(15-7-8-15)13-14-5-9-16(10-6-14)25-19-11-12-24-22-21(19)17-3-1-2-4-18(17)23(28)26-22/h1-6,9-12,15H,7-8,13H2,(H2,24,25,26,28).
What are the key properties of 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 369.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).