2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline

C16H20ClNO2 — CID 60922871

IUPAC2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
SMILESCOc1ccc2cc(COCCC(C)C)c(Cl)nc2c1
InChIInChI=1S/C16H20ClNO2/c1-11(2)6-7-20-10-13-8-12-4-5-14(19-3)9-15(12)18-16(13)17/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyCTAJKTOMOZZEOI-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.46
Rot. Bonds6

About 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline

2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline (PubChem CID 60922871) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
PubChem CID60922871
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
SMILESCOc1ccc2cc(COCCC(C)C)c(Cl)nc2c1
InChIInChI=1S/C16H20ClNO2/c1-11(2)6-7-20-10-13-8-12-4-5-14(19-3)9-15(12)18-16(13)17/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyCTAJKTOMOZZEOI-UHFFFAOYSA-N
XLogP4.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)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-(3,3-dimethylbutoxymethyl)-7-methoxyquinoline
CID 66234728
2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
CID 79114213
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline
CID 102606175
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-1-ol
CID 66105033
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-2-ol
CID 103706012
3-(butoxymethyl)-7-methoxyquinolin-2-amine
CID 55044888
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline
CID 61072763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline?
The IUPAC name of 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline (CID 60922871) is 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline.
What is the SMILES notation for 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline?
The canonical SMILES for 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline is COc1ccc2cc(COCCC(C)C)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline?
The InChIKey is CTAJKTOMOZZEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11(2)6-7-20-10-13-8-12-4-5-14(19-3)9-15(12)18-16(13)17/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline?
2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline has a molecular weight of 293.79 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline is sourced from PubChem (CID 60922871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).