(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol

C15H19NO2 — CID 102333210

IUPAC(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol
SMILESCCOc1ccc2cc([C@@H](O)C(C)C)cnc2c1
InChIInChI=1S/C15H19NO2/c1-4-18-13-6-5-11-7-12(15(17)10(2)3)9-16-14(11)8-13/h5-10,15,17H,4H2,1-3H3/t15-/m0/s1
InChIKeyGJTYZJRRNSSWQK-HNNXBMFYSA-N
MW245.32 g/mol
LogP3.32
Rot. Bonds4

About (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol

(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol (PubChem CID 102333210) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol
PubChem CID102333210
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol
SMILESCCOc1ccc2cc([C@@H](O)C(C)C)cnc2c1
InChIInChI=1S/C15H19NO2/c1-4-18-13-6-5-11-7-12(15(17)10(2)3)9-16-14(11)8-13/h5-10,15,17H,4H2,1-3H3/t15-/m0/s1
InChIKeyGJTYZJRRNSSWQK-HNNXBMFYSA-N
XLogP3.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol (CID 102333210) is (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol is CCOc1ccc2cc([C@@H](O)C(C)C)cnc2c1.
What is the InChIKey of (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol?
The InChIKey is GJTYZJRRNSSWQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-18-13-6-5-11-7-12(15(17)10(2)3)9-16-14(11)8-13/h5-10,15,17H,4H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol?
(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 102333210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).