2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate

C22H18N2O3 — CID 167940421

IUPAC2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate
SMILESCc1ccc2cc(C(=O)OCCOc3ccnc4ccccc34)cnc2c1
InChIInChI=1S/C22H18N2O3/c1-15-6-7-16-13-17(14-24-20(16)12-15)22(25)27-11-10-26-21-8-9-23-19-5-3-2-4-18(19)21/h2-9,12-14H,10-11H2,1H3
InChIKeyRWFBRHXRSBIBGB-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.33
Rot. Bonds5

About 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate

2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate (PubChem CID 167940421) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate
PubChem CID167940421
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate
SMILESCc1ccc2cc(C(=O)OCCOc3ccnc4ccccc34)cnc2c1
InChIInChI=1S/C22H18N2O3/c1-15-6-7-16-13-17(14-24-20(16)12-15)22(25)27-11-10-26-21-8-9-23-19-5-3-2-4-18(19)21/h2-9,12-14H,10-11H2,1H3
InChIKeyRWFBRHXRSBIBGB-UHFFFAOYSA-N
XLogP4.33
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-methylphenanthridine
CID 10987123
butyl quinoline-3-carboxylate
CID 54753708
2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
CID 167926705
2-quinolin-4-yloxyethyl 3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 167840098
2-(6-methylquinolin-4-yl)oxyethanol
CID 50877423
2-quinolin-4-yloxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 167796932
2-quinolin-4-yloxyethyl 5,5-difluoro-2,2-dimethylcyclohexane-1-carboxylate
CID 167872200
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
prop-2-enyl quinoline-3-carboxylate
CID 54359165
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
methyl 2-quinolin-4-yloxyacetate
CID 151479480

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate?
The IUPAC name of 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate (CID 167940421) is 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate.
What is the SMILES notation for 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate?
The canonical SMILES for 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate is Cc1ccc2cc(C(=O)OCCOc3ccnc4ccccc34)cnc2c1.
What is the InChIKey of 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate?
The InChIKey is RWFBRHXRSBIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15-6-7-16-13-17(14-24-20(16)12-15)22(25)27-11-10-26-21-8-9-23-19-5-3-2-4-18(19)21/h2-9,12-14H,10-11H2,1H3.
What are the key properties of 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate?
2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate is sourced from PubChem (CID 167940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).