5-(pyrimidin-2-ylmethoxy)quinolin-8-amine

C14H12N4O — CID 116524814

IUPAC5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
SMILESNc1ccc(OCc2ncccn2)c2cccnc12
InChIInChI=1S/C14H12N4O/c15-11-4-5-12(10-3-1-6-18-14(10)11)19-9-13-16-7-2-8-17-13/h1-8H,9,15H2
InChIKeyDSHMZFGDJFAMRE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.19
Rot. Bonds3

About 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine

5-(pyrimidin-2-ylmethoxy)quinolin-8-amine (PubChem CID 116524814) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
PubChem CID116524814
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
SMILESNc1ccc(OCc2ncccn2)c2cccnc12
InChIInChI=1S/C14H12N4O/c15-11-4-5-12(10-3-1-6-18-14(10)11)19-9-13-16-7-2-8-17-13/h1-8H,9,15H2
InChIKeyDSHMZFGDJFAMRE-UHFFFAOYSA-N
XLogP2.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine
CID 116524713
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine
CID 116525566
5-(8-aminoquinolin-5-yl)oxypentanenitrile
CID 116524781

Frequently Asked Questions

What is the IUPAC name of 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine?
The IUPAC name of 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine (CID 116524814) is 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine.
What is the SMILES notation for 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine?
The canonical SMILES for 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine is Nc1ccc(OCc2ncccn2)c2cccnc12.
What is the InChIKey of 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine?
The InChIKey is DSHMZFGDJFAMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-11-4-5-12(10-3-1-6-18-14(10)11)19-9-13-16-7-2-8-17-13/h1-8H,9,15H2.
What are the key properties of 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine?
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine has a molecular weight of 252.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrimidin-2-ylmethoxy)quinolin-8-amine is sourced from PubChem (CID 116524814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).