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

C13H20N2O — CID 10656568

IUPAC5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2O/c1-2-3-9-14-11-5-4-6-12-10(11)7-8-13(16)15-12/h7-8,11,14H,2-6,9H2,1H3,(H,15,16)
InChIKeyFVGCWHKHUYQKMI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds4

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

5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 10656568) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID10656568
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H20N2O/c1-2-3-9-14-11-5-4-6-12-10(11)7-8-13(16)15-12/h7-8,11,14H,2-6,9H2,1H3,(H,15,16)
InChIKeyFVGCWHKHUYQKMI-UHFFFAOYSA-N
XLogP2.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 10656568) is 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCCCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FVGCWHKHUYQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-9-14-11-5-4-6-12-10(11)7-8-13(16)15-12/h7-8,11,14H,2-6,9H2,1H3,(H,15,16).
What are the key properties of 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 10656568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).