2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline

C14H14ClNO3 — CID 102606175

IUPAC2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline
SMILESCOc1ccc2cc(COC3COC3)c(Cl)nc2c1
InChIInChI=1S/C14H14ClNO3/c1-17-11-3-2-9-4-10(6-19-12-7-18-8-12)14(15)16-13(9)5-11/h2-5,12H,6-8H2,1H3
InChIKeyUNTLJXWKYLMKQC-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.81
Rot. Bonds4

About 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline

2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline (PubChem CID 102606175) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline
PubChem CID102606175
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline
SMILESCOc1ccc2cc(COC3COC3)c(Cl)nc2c1
InChIInChI=1S/C14H14ClNO3/c1-17-11-3-2-9-4-10(6-19-12-7-18-8-12)14(15)16-13(9)5-11/h2-5,12H,6-8H2,1H3
InChIKeyUNTLJXWKYLMKQC-UHFFFAOYSA-N
XLogP2.81
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline 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

2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
CID 60922871
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
CID 51119637
2-chloro-3-(3,3-dimethylbutoxymethyl)-7-methoxyquinoline
CID 66234728
(2-chloro-7-methoxyquinolin-3-yl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 16537404
2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
CID 79114213
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline
CID 61072763
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione
CID 60624289
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-2-ol
CID 103706012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline?
The IUPAC name of 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline (CID 102606175) is 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline.
What is the SMILES notation for 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline?
The canonical SMILES for 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline is COc1ccc2cc(COC3COC3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline?
The InChIKey is UNTLJXWKYLMKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-17-11-3-2-9-4-10(6-19-12-7-18-8-12)14(15)16-13(9)5-11/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline?
2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline has a molecular weight of 279.72 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline is sourced from PubChem (CID 102606175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).