7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one

C10H9ClN2O — CID 170566529

IUPAC7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2ccc(Cl)nc2[nH]c1=O
InChIInChI=1S/C10H9ClN2O/c1-2-6-5-7-3-4-8(11)12-9(7)13-10(6)14/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyAJYWYZBTBONKMX-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.14
Rot. Bonds1

About 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one

7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one (PubChem CID 170566529) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one
PubChem CID170566529
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2ccc(Cl)nc2[nH]c1=O
InChIInChI=1S/C10H9ClN2O/c1-2-6-5-7-3-4-8(11)12-9(7)13-10(6)14/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyAJYWYZBTBONKMX-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate
CID 169110497
3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one
CID 59093558
3-ethyl-7-(ethylamino)-1H-quinolin-2-one
CID 170712582
3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
CID 118005009
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
6-amino-3-ethyl-1H-quinolin-2-one
CID 172552849
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
CID 168984402
7-ethyl-1H-1,8-naphthyridin-2-one
CID 23335413
3-(2-chloro-6-methoxy-3-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;3-(6-chloro-2-methoxy-3-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;methane
CID 161090660
2-(4-chloroanilino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136740952

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one (CID 170566529) is 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one is CCc1cc2ccc(Cl)nc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one?
The InChIKey is AJYWYZBTBONKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-6-5-7-3-4-8(11)12-9(7)13-10(6)14/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one?
7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one has a molecular weight of 208.65 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 170566529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).