7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one

C15H15N3O — CID 147958590

IUPAC7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-n3cnc(C4CC4)c3)cc21
InChIInChI=1S/C15H15N3O/c19-15-13-7-12(4-3-10(13)5-6-16-15)18-8-14(17-9-18)11-1-2-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,19)
InChIKeyIPALRSBLKSEKBX-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.04
Rot. Bonds2

About 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one

7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 147958590) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID147958590
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-n3cnc(C4CC4)c3)cc21
InChIInChI=1S/C15H15N3O/c19-15-13-7-12(4-3-10(13)5-6-16-15)18-8-14(17-9-18)11-1-2-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,19)
InChIKeyIPALRSBLKSEKBX-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one (CID 147958590) is 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2ccc(-n3cnc(C4CC4)c3)cc21.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is IPALRSBLKSEKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15-13-7-12(4-3-10(13)5-6-16-15)18-8-14(17-9-18)11-1-2-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,19).
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one?
7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 147958590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).