1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol

C15H18N2O — CID 63296727

IUPAC1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
SMILESCc1cc2ccccc2nc1NCC(O)C1CC1
InChIInChI=1S/C15H18N2O/c1-10-8-12-4-2-3-5-13(12)17-15(10)16-9-14(18)11-6-7-11/h2-5,8,11,14,18H,6-7,9H2,1H3,(H,16,17)
InChIKeyCKCPXPHKMNWYQT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.73
Rot. Bonds4

About 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol

1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol (PubChem CID 63296727) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
PubChem CID63296727
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
SMILESCc1cc2ccccc2nc1NCC(O)C1CC1
InChIInChI=1S/C15H18N2O/c1-10-8-12-4-2-3-5-13(12)17-15(10)16-9-14(18)11-6-7-11/h2-5,8,11,14,18H,6-7,9H2,1H3,(H,16,17)
InChIKeyCKCPXPHKMNWYQT-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol (CID 63296727) is 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol is Cc1cc2ccccc2nc1NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol?
The InChIKey is CKCPXPHKMNWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-8-12-4-2-3-5-13(12)17-15(10)16-9-14(18)11-6-7-11/h2-5,8,11,14,18H,6-7,9H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol?
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol is sourced from PubChem (CID 63296727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).