5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine

C15H12N4 — CID 104504813

IUPAC5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1cnc(-c2cncc3ccccc23)c1N
InChIInChI=1S/C15H12N4/c1-2-7-19-10-18-14(15(19)16)13-9-17-8-11-5-3-4-6-12(11)13/h1,3-6,8-10H,7,16H2
InChIKeyILRPRWQKOGKGCE-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.31
Rot. Bonds2

About 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine

5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine (PubChem CID 104504813) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine
PubChem CID104504813
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1cnc(-c2cncc3ccccc23)c1N
InChIInChI=1S/C15H12N4/c1-2-7-19-10-18-14(15(19)16)13-9-17-8-11-5-3-4-6-12(11)13/h1,3-6,8-10H,7,16H2
InChIKeyILRPRWQKOGKGCE-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.31
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

5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
CID 104504799
5-(3-chlorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 53275759
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
5-(4-bromo-2-fluorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 62225070
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
CID 83091694
5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
CID 166661287
3-methyl-5-naphthalen-1-ylimidazol-4-amine
CID 62017336
3-isoquinolin-4-ylaniline
CID 22724137
2-isoquinolin-4-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104505099
2-cyclopropyl-4-isoquinolin-4-ylimidazole-1,5-diamine
CID 104504833
5-(3,5-dimethoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62224524

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine (CID 104504813) is 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine is C#CCn1cnc(-c2cncc3ccccc23)c1N.
What is the InChIKey of 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is ILRPRWQKOGKGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-7-19-10-18-14(15(19)16)13-9-17-8-11-5-3-4-6-12(11)13/h1,3-6,8-10H,7,16H2.
What are the key properties of 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine?
5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 248.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-4-yl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 104504813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).