2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine

C16H14N4 — CID 63970144

IUPAC2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine
SMILESC#CCn1c(C)nc(-c2cccc3cccnc23)c1N
InChIInChI=1S/C16H14N4/c1-3-10-20-11(2)19-15(16(20)17)13-8-4-6-12-7-5-9-18-14(12)13/h1,4-9H,10,17H2,2H3
InChIKeyHXDGNYAVPMVFCJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.62
Rot. Bonds2

About 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine

2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine (PubChem CID 63970144) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine
PubChem CID63970144
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine
SMILESC#CCn1c(C)nc(-c2cccc3cccnc23)c1N
InChIInChI=1S/C16H14N4/c1-3-10-20-11(2)19-15(16(20)17)13-8-4-6-12-7-5-9-18-14(12)13/h1,4-9H,10,17H2,2H3
InChIKeyHXDGNYAVPMVFCJ-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-propan-2-yl-5-quinolin-8-ylimidazol-4-amine
CID 63968894
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 53275789
5-methyl-2-quinolin-8-ylpyridin-3-amine
CID 114050997
2-propyl-4-quinolin-8-ylimidazole-1,5-diamine
CID 63970149
5-(2,3-dimethylphenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 55048825
2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105125
5-(4-bromo-3-methylphenyl)-2-methyl-3-prop-2-ynylimidazol-4-amine
CID 66481657
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897
ethane;quinolin-8-amine
CID 91158659
2-tert-butyl-5-(2-fluorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 62220785
2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
CID 63968062
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine?
The IUPAC name of 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine (CID 63970144) is 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine.
What is the SMILES notation for 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine?
The canonical SMILES for 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine is C#CCn1c(C)nc(-c2cccc3cccnc23)c1N.
What is the InChIKey of 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine?
The InChIKey is HXDGNYAVPMVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-3-10-20-11(2)19-15(16(20)17)13-8-4-6-12-7-5-9-18-14(12)13/h1,4-9H,10,17H2,2H3.
What are the key properties of 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine?
2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine has a molecular weight of 262.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine is sourced from PubChem (CID 63970144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).