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

C15H20N4O — CID 81109013

IUPAC5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(Cn1ccnc1)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H20N4O/c1-11(9-19-8-7-16-10-19)17-13-3-2-4-14-12(13)5-6-15(20)18-14/h5-8,10-11,13,17H,2-4,9H2,1H3,(H,18,20)
InChIKeyMAJNAJZXYRQZFQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.63
Rot. Bonds4

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

5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81109013) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81109013
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(Cn1ccnc1)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H20N4O/c1-11(9-19-8-7-16-10-19)17-13-3-2-4-14-12(13)5-6-15(20)18-14/h5-8,10-11,13,17H,2-4,9H2,1H3,(H,18,20)
InChIKeyMAJNAJZXYRQZFQ-UHFFFAOYSA-N
XLogP1.63
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81109013) is 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(Cn1ccnc1)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is MAJNAJZXYRQZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(9-19-8-7-16-10-19)17-13-3-2-4-14-12(13)5-6-15(20)18-14/h5-8,10-11,13,17H,2-4,9H2,1H3,(H,18,20).
What are the key properties of 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylpropan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81109013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).