1-[(2-phenylquinolin-4-yl)amino]propan-2-ol

C18H18N2O — CID 18432978

IUPAC1-[(2-phenylquinolin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H18N2O/c1-13(21)12-19-18-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18/h2-11,13,21H,12H2,1H3,(H,19,20)
InChIKeyQYAIWGKBOIMXSQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds4

About 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol

1-[(2-phenylquinolin-4-yl)amino]propan-2-ol (PubChem CID 18432978) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-phenylquinolin-4-yl)amino]propan-2-ol
PubChem CID18432978
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[(2-phenylquinolin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H18N2O/c1-13(21)12-19-18-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18/h2-11,13,21H,12H2,1H3,(H,19,20)
InChIKeyQYAIWGKBOIMXSQ-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol (CID 18432978) is 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol is CC(O)CNc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol?
The InChIKey is QYAIWGKBOIMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(21)12-19-18-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18/h2-11,13,21H,12H2,1H3,(H,19,20).
What are the key properties of 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol?
1-[(2-phenylquinolin-4-yl)amino]propan-2-ol has a molecular weight of 278.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylquinolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 18432978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).