7-chloro-2-methyl-3-propan-2-ylquinoline

C13H14ClN — CID 140904277

IUPAC7-chloro-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2cc(Cl)ccc2cc1C(C)C
InChIInChI=1S/C13H14ClN/c1-8(2)12-6-10-4-5-11(14)7-13(10)15-9(12)3/h4-8H,1-3H3
InChIKeyJBVQATPIKIQACO-UHFFFAOYSA-N
MW219.72 g/mol
LogP4.32
Rot. Bonds1

About 7-chloro-2-methyl-3-propan-2-ylquinoline

7-chloro-2-methyl-3-propan-2-ylquinoline (PubChem CID 140904277) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name7-chloro-2-methyl-3-propan-2-ylquinoline
PubChem CID140904277
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name7-chloro-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2cc(Cl)ccc2cc1C(C)C
InChIInChI=1S/C13H14ClN/c1-8(2)12-6-10-4-5-11(14)7-13(10)15-9(12)3/h4-8H,1-3H3
InChIKeyJBVQATPIKIQACO-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 7-chloro-2-methyl-3-propan-2-ylquinoline (CID 140904277) is 7-chloro-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 7-chloro-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 7-chloro-2-methyl-3-propan-2-ylquinoline is Cc1nc2cc(Cl)ccc2cc1C(C)C.
What is the InChIKey of 7-chloro-2-methyl-3-propan-2-ylquinoline?
The InChIKey is JBVQATPIKIQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-8(2)12-6-10-4-5-11(14)7-13(10)15-9(12)3/h4-8H,1-3H3.
What are the key properties of 7-chloro-2-methyl-3-propan-2-ylquinoline?
7-chloro-2-methyl-3-propan-2-ylquinoline has a molecular weight of 219.72 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 140904277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).