1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol

C14H19NO2 — CID 117338640

IUPAC1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
SMILESCOc1c(C2(O)CC2)ccc2c1CCCN2C
InChIInChI=1S/C14H19NO2/c1-15-9-3-4-10-12(15)6-5-11(13(10)17-2)14(16)7-8-14/h5-6,16H,3-4,7-9H2,1-2H3
InChIKeyICLZECDVUBIBGF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds2

About 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol

1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol (PubChem CID 117338640) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
PubChem CID117338640
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
SMILESCOc1c(C2(O)CC2)ccc2c1CCCN2C
InChIInChI=1S/C14H19NO2/c1-15-9-3-4-10-12(15)6-5-11(13(10)17-2)14(16)7-8-14/h5-6,16H,3-4,7-9H2,1-2H3
InChIKeyICLZECDVUBIBGF-UHFFFAOYSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol?
The IUPAC name of 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol (CID 117338640) is 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol is COc1c(C2(O)CC2)ccc2c1CCCN2C.
What is the InChIKey of 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol?
The InChIKey is ICLZECDVUBIBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-3-4-10-12(15)6-5-11(13(10)17-2)14(16)7-8-14/h5-6,16H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol?
1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol is sourced from PubChem (CID 117338640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).