butyl 2-methylquinoline-4-carboxylate

C15H17NO2 — CID 15939476

IUPACbutyl 2-methylquinoline-4-carboxylate
SMILESCCCCOC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-4-9-18-15(17)13-10-11(2)16-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBGUSKXNIXWQEOR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.50
Rot. Bonds4

About butyl 2-methylquinoline-4-carboxylate

butyl 2-methylquinoline-4-carboxylate (PubChem CID 15939476) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is butyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namebutyl 2-methylquinoline-4-carboxylate
PubChem CID15939476
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namebutyl 2-methylquinoline-4-carboxylate
SMILESCCCCOC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-4-9-18-15(17)13-10-11(2)16-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBGUSKXNIXWQEOR-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-methylquinoline-4-carboxylate?
The IUPAC name of butyl 2-methylquinoline-4-carboxylate (CID 15939476) is butyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for butyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for butyl 2-methylquinoline-4-carboxylate is CCCCOC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of butyl 2-methylquinoline-4-carboxylate?
The InChIKey is BGUSKXNIXWQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-4-9-18-15(17)13-10-11(2)16-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of butyl 2-methylquinoline-4-carboxylate?
butyl 2-methylquinoline-4-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 15939476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).