7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride

C11H8Cl2N2O2 — CID 21434993

IUPAC7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride
SMILESCCn1cc(C(=O)Cl)c(=O)c2ccc(Cl)nc21
InChIInChI=1S/C11H8Cl2N2O2/c1-2-15-5-7(10(13)17)9(16)6-3-4-8(12)14-11(6)15/h3-5H,2H2,1H3
InChIKeyABQQKKPHBWPPGG-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.45
Rot. Bonds2

About 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride

7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride (PubChem CID 21434993) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride
PubChem CID21434993
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride
SMILESCCn1cc(C(=O)Cl)c(=O)c2ccc(Cl)nc21
InChIInChI=1S/C11H8Cl2N2O2/c1-2-15-5-7(10(13)17)9(16)6-3-4-8(12)14-11(6)15/h3-5H,2H2,1H3
InChIKeyABQQKKPHBWPPGG-UHFFFAOYSA-N
XLogP2.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 145440043
CID 145440043
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-7-[(E)-hydroxyiminomethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 135765348
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
2-(4-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3499151
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
CID 10470853
2-(2-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5164855

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride?
The IUPAC name of 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride (CID 21434993) is 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride.
What is the SMILES notation for 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride?
The canonical SMILES for 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride is CCn1cc(C(=O)Cl)c(=O)c2ccc(Cl)nc21.
What is the InChIKey of 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride?
The InChIKey is ABQQKKPHBWPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-2-15-5-7(10(13)17)9(16)6-3-4-8(12)14-11(6)15/h3-5H,2H2,1H3.
What are the key properties of 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride?
7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride has a molecular weight of 271.10 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride is sourced from PubChem (CID 21434993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).