8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one

C19H19ClN2O3 — CID 155301030

IUPAC8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one
SMILESCCOc1c(Cl)ccc2c(=O)c3ccc(C(=O)CC)nc3n(CC)c12
InChIInChI=1S/C19H19ClN2O3/c1-4-15(23)14-10-8-12-17(24)11-7-9-13(20)18(25-6-3)16(11)22(5-2)19(12)21-14/h7-10H,4-6H2,1-3H3
InChIKeyRHBVHEDKQUYDML-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.21
Rot. Bonds5

About 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one

8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one (PubChem CID 155301030) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one
PubChem CID155301030
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one
SMILESCCOc1c(Cl)ccc2c(=O)c3ccc(C(=O)CC)nc3n(CC)c12
InChIInChI=1S/C19H19ClN2O3/c1-4-15(23)14-10-8-12-17(24)11-7-9-13(20)18(25-6-3)16(11)22(5-2)19(12)21-14/h7-10H,4-6H2,1-3H3
InChIKeyRHBVHEDKQUYDML-UHFFFAOYSA-N
XLogP4.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one (CID 155301030) is 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one is CCOc1c(Cl)ccc2c(=O)c3ccc(C(=O)CC)nc3n(CC)c12.
What is the InChIKey of 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one?
The InChIKey is RHBVHEDKQUYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-4-15(23)14-10-8-12-17(24)11-7-9-13(20)18(25-6-3)16(11)22(5-2)19(12)21-14/h7-10H,4-6H2,1-3H3.
What are the key properties of 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one?
8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one has a molecular weight of 358.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-ethoxy-10-ethyl-2-propanoylbenzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 155301030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).