5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C14H18N4O — CID 81107702

IUPAC5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCn1ccnc1
InChIInChI=1S/C14H18N4O/c19-14-5-4-11-12(2-1-3-13(11)17-14)16-7-9-18-8-6-15-10-18/h4-6,8,10,12,16H,1-3,7,9H2,(H,17,19)
InChIKeyJOPNVCXPPIZJCC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.24
Rot. Bonds4

About 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107702) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107702
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCn1ccnc1
InChIInChI=1S/C14H18N4O/c19-14-5-4-11-12(2-1-3-13(11)17-14)16-7-9-18-8-6-15-10-18/h4-6,8,10,12,16H,1-3,7,9H2,(H,17,19)
InChIKeyJOPNVCXPPIZJCC-UHFFFAOYSA-N
XLogP1.24
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107702) is 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCCn1ccnc1.
What is the InChIKey of 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is JOPNVCXPPIZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14-5-4-11-12(2-1-3-13(11)17-14)16-7-9-18-8-6-15-10-18/h4-6,8,10,12,16H,1-3,7,9H2,(H,17,19).
What are the key properties of 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).