2-chloro-4-methyl-7-propan-2-yloxyquinoline

C13H14ClNO — CID 86614083

IUPAC2-chloro-4-methyl-7-propan-2-yloxyquinoline
SMILESCc1cc(Cl)nc2cc(OC(C)C)ccc12
InChIInChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-11-9(3)6-13(14)15-12(11)7-10/h4-8H,1-3H3
InChIKeyWRIKHCKBEFOFQV-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.98
Rot. Bonds2

About 2-chloro-4-methyl-7-propan-2-yloxyquinoline

2-chloro-4-methyl-7-propan-2-yloxyquinoline (PubChem CID 86614083) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-4-methyl-7-propan-2-yloxyquinoline.

Molecular Properties

Compound Name2-chloro-4-methyl-7-propan-2-yloxyquinoline
PubChem CID86614083
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-chloro-4-methyl-7-propan-2-yloxyquinoline
SMILESCc1cc(Cl)nc2cc(OC(C)C)ccc12
InChIInChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-11-9(3)6-13(14)15-12(11)7-10/h4-8H,1-3H3
InChIKeyWRIKHCKBEFOFQV-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-7-propan-2-yloxyquinoline?
The IUPAC name of 2-chloro-4-methyl-7-propan-2-yloxyquinoline (CID 86614083) is 2-chloro-4-methyl-7-propan-2-yloxyquinoline.
What is the SMILES notation for 2-chloro-4-methyl-7-propan-2-yloxyquinoline?
The canonical SMILES for 2-chloro-4-methyl-7-propan-2-yloxyquinoline is Cc1cc(Cl)nc2cc(OC(C)C)ccc12.
What is the InChIKey of 2-chloro-4-methyl-7-propan-2-yloxyquinoline?
The InChIKey is WRIKHCKBEFOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-11-9(3)6-13(14)15-12(11)7-10/h4-8H,1-3H3.
What are the key properties of 2-chloro-4-methyl-7-propan-2-yloxyquinoline?
2-chloro-4-methyl-7-propan-2-yloxyquinoline has a molecular weight of 235.71 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-7-propan-2-yloxyquinoline is sourced from PubChem (CID 86614083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).