7-methyl-2-propan-2-ylquinoline

C13H15N — CID 83527005

IUPAC7-methyl-2-propan-2-ylquinoline
SMILESCc1ccc2ccc(C(C)C)nc2c1
InChIInChI=1S/C13H15N/c1-9(2)12-7-6-11-5-4-10(3)8-13(11)14-12/h4-9H,1-3H3
InChIKeyUWBTXHYEJGKSRO-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.67
Rot. Bonds1

About 7-methyl-2-propan-2-ylquinoline

7-methyl-2-propan-2-ylquinoline (PubChem CID 83527005) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 7-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name7-methyl-2-propan-2-ylquinoline
PubChem CID83527005
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name7-methyl-2-propan-2-ylquinoline
SMILESCc1ccc2ccc(C(C)C)nc2c1
InChIInChI=1S/C13H15N/c1-9(2)12-7-6-11-5-4-10(3)8-13(11)14-12/h4-9H,1-3H3
InChIKeyUWBTXHYEJGKSRO-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-ylquinoline?
The IUPAC name of 7-methyl-2-propan-2-ylquinoline (CID 83527005) is 7-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 7-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 7-methyl-2-propan-2-ylquinoline is Cc1ccc2ccc(C(C)C)nc2c1.
What is the InChIKey of 7-methyl-2-propan-2-ylquinoline?
The InChIKey is UWBTXHYEJGKSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9(2)12-7-6-11-5-4-10(3)8-13(11)14-12/h4-9H,1-3H3.
What are the key properties of 7-methyl-2-propan-2-ylquinoline?
7-methyl-2-propan-2-ylquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 83527005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).