6-chloro-7-methoxy-3-propan-2-ylquinoline

C13H14ClNO — CID 154591513

IUPAC6-chloro-7-methoxy-3-propan-2-ylquinoline
SMILESCOc1cc2ncc(C(C)C)cc2cc1Cl
InChIInChI=1S/C13H14ClNO/c1-8(2)10-4-9-5-11(14)13(16-3)6-12(9)15-7-10/h4-8H,1-3H3
InChIKeyPHRWTKCKLLOWKF-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.02
Rot. Bonds2

About 6-chloro-7-methoxy-3-propan-2-ylquinoline

6-chloro-7-methoxy-3-propan-2-ylquinoline (PubChem CID 154591513) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 6-chloro-7-methoxy-3-propan-2-ylquinoline.

Molecular Properties

Compound Name6-chloro-7-methoxy-3-propan-2-ylquinoline
PubChem CID154591513
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name6-chloro-7-methoxy-3-propan-2-ylquinoline
SMILESCOc1cc2ncc(C(C)C)cc2cc1Cl
InChIInChI=1S/C13H14ClNO/c1-8(2)10-4-9-5-11(14)13(16-3)6-12(9)15-7-10/h4-8H,1-3H3
InChIKeyPHRWTKCKLLOWKF-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-3-propan-2-ylquinoline?
The IUPAC name of 6-chloro-7-methoxy-3-propan-2-ylquinoline (CID 154591513) is 6-chloro-7-methoxy-3-propan-2-ylquinoline.
What is the SMILES notation for 6-chloro-7-methoxy-3-propan-2-ylquinoline?
The canonical SMILES for 6-chloro-7-methoxy-3-propan-2-ylquinoline is COc1cc2ncc(C(C)C)cc2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-3-propan-2-ylquinoline?
The InChIKey is PHRWTKCKLLOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8(2)10-4-9-5-11(14)13(16-3)6-12(9)15-7-10/h4-8H,1-3H3.
What are the key properties of 6-chloro-7-methoxy-3-propan-2-ylquinoline?
6-chloro-7-methoxy-3-propan-2-ylquinoline has a molecular weight of 235.71 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-3-propan-2-ylquinoline is sourced from PubChem (CID 154591513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).