2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol

C13H12N4O — CID 155554220

IUPAC2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol
SMILESNc1ccc2c(Cn3ccnc3)ccc(O)c2n1
InChIInChI=1S/C13H12N4O/c14-12-4-2-10-9(7-17-6-5-15-8-17)1-3-11(18)13(10)16-12/h1-6,8,18H,7H2,(H2,14,16)
InChIKeyVOMRBSYEEJNXDI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.77
Rot. Bonds2

About 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol

2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol (PubChem CID 155554220) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol
PubChem CID155554220
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol
SMILESNc1ccc2c(Cn3ccnc3)ccc(O)c2n1
InChIInChI=1S/C13H12N4O/c14-12-4-2-10-9(7-17-6-5-15-8-17)1-3-11(18)13(10)16-12/h1-6,8,18H,7H2,(H2,14,16)
InChIKeyVOMRBSYEEJNXDI-UHFFFAOYSA-N
XLogP1.77
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol (CID 155554220) is 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol is Nc1ccc2c(Cn3ccnc3)ccc(O)c2n1.
What is the InChIKey of 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol?
The InChIKey is VOMRBSYEEJNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-12-4-2-10-9(7-17-6-5-15-8-17)1-3-11(18)13(10)16-12/h1-6,8,18H,7H2,(H2,14,16).
What are the key properties of 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol?
2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol has a molecular weight of 240.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(imidazol-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 155554220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).