2-chloro-7-ethoxy-3-methylquinoline

C12H12ClNO — CID 145082192

IUPAC2-chloro-7-ethoxy-3-methylquinoline
SMILESCCOc1ccc2cc(C)c(Cl)nc2c1
InChIInChI=1S/C12H12ClNO/c1-3-15-10-5-4-9-6-8(2)12(13)14-11(9)7-10/h4-7H,3H2,1-2H3
InChIKeyRBEQXAHHBOJYOL-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-7-ethoxy-3-methylquinoline

2-chloro-7-ethoxy-3-methylquinoline (PubChem CID 145082192) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-7-ethoxy-3-methylquinoline.

Molecular Properties

Compound Name2-chloro-7-ethoxy-3-methylquinoline
PubChem CID145082192
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-chloro-7-ethoxy-3-methylquinoline
SMILESCCOc1ccc2cc(C)c(Cl)nc2c1
InChIInChI=1S/C12H12ClNO/c1-3-15-10-5-4-9-6-8(2)12(13)14-11(9)7-10/h4-7H,3H2,1-2H3
InChIKeyRBEQXAHHBOJYOL-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
CID 170868054
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
7-ethoxy-2-iodoquinoline
CID 133063492
2,6-diethoxyanthracene
CID 12651989
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
2-ethoxynaphthalene
CID 118978197
4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 156753750
5-acetyl-2-amino-4-(2-chloro-7-ethoxyquinolin-3-yl)-6-methyl-4H-pyran-3-carbonitrile
CID 3169289
7-methoxy-2,3-dimethylquinoline
CID 58717059
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
2-chloro-3-fluoro-7-methoxyquinoline
CID 22030591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethoxy-3-methylquinoline?
The IUPAC name of 2-chloro-7-ethoxy-3-methylquinoline (CID 145082192) is 2-chloro-7-ethoxy-3-methylquinoline.
What is the SMILES notation for 2-chloro-7-ethoxy-3-methylquinoline?
The canonical SMILES for 2-chloro-7-ethoxy-3-methylquinoline is CCOc1ccc2cc(C)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-ethoxy-3-methylquinoline?
The InChIKey is RBEQXAHHBOJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-3-15-10-5-4-9-6-8(2)12(13)14-11(9)7-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-7-ethoxy-3-methylquinoline?
2-chloro-7-ethoxy-3-methylquinoline has a molecular weight of 221.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethoxy-3-methylquinoline is sourced from PubChem (CID 145082192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).