2-butyl-3-methylquinoline

C14H17N — CID 519104

IUPAC2-butyl-3-methylquinoline
SMILESCCCCc1nc2ccccc2cc1C
InChIInChI=1S/C14H17N/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)15-13/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVVRRMVOHADLIPW-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.89
Rot. Bonds3

About 2-butyl-3-methylquinoline

2-butyl-3-methylquinoline (PubChem CID 519104) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-butyl-3-methylquinoline.

Molecular Properties

Compound Name2-butyl-3-methylquinoline
PubChem CID519104
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-butyl-3-methylquinoline
SMILESCCCCc1nc2ccccc2cc1C
InChIInChI=1S/C14H17N/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)15-13/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyVVRRMVOHADLIPW-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylquinoline?
The IUPAC name of 2-butyl-3-methylquinoline (CID 519104) is 2-butyl-3-methylquinoline.
What is the SMILES notation for 2-butyl-3-methylquinoline?
The canonical SMILES for 2-butyl-3-methylquinoline is CCCCc1nc2ccccc2cc1C.
What is the InChIKey of 2-butyl-3-methylquinoline?
The InChIKey is VVRRMVOHADLIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)15-13/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 2-butyl-3-methylquinoline?
2-butyl-3-methylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylquinoline is sourced from PubChem (CID 519104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).