7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one

C16H16N2O — CID 5396607

IUPAC7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one
SMILESCCc1ccc2[nH]c3nc(C)cc(C)c3c(=O)c2c1
InChIInChI=1S/C16H16N2O/c1-4-11-5-6-13-12(8-11)15(19)14-9(2)7-10(3)17-16(14)18-13/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyDBZHPHGFYDFVDQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.26
Rot. Bonds1

About 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one

7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one (PubChem CID 5396607) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one
PubChem CID5396607
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one
SMILESCCc1ccc2[nH]c3nc(C)cc(C)c3c(=O)c2c1
InChIInChI=1S/C16H16N2O/c1-4-11-5-6-13-12(8-11)15(19)14-9(2)7-10(3)17-16(14)18-13/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyDBZHPHGFYDFVDQ-UHFFFAOYSA-N
XLogP3.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one (CID 5396607) is 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one is CCc1ccc2[nH]c3nc(C)cc(C)c3c(=O)c2c1.
What is the InChIKey of 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one?
The InChIKey is DBZHPHGFYDFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-4-11-5-6-13-12(8-11)15(19)14-9(2)7-10(3)17-16(14)18-13/h5-8H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one?
7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one has a molecular weight of 252.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 5396607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).