6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one

C14H20N2O — CID 43446543

IUPAC6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one
SMILESCC(C)CCN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-10(2)7-8-16-13-5-4-12(15)9-11(13)3-6-14(16)17/h4-5,9-10H,3,6-8,15H2,1-2H3
InChIKeyRBVQUOCYRUOZST-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds3

About 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one

6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one (PubChem CID 43446543) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one
PubChem CID43446543
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one
SMILESCC(C)CCN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-10(2)7-8-16-13-5-4-12(15)9-11(13)3-6-14(16)17/h4-5,9-10H,3,6-8,15H2,1-2H3
InChIKeyRBVQUOCYRUOZST-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one (CID 43446543) is 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one is CC(C)CCN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is RBVQUOCYRUOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)7-8-16-13-5-4-12(15)9-11(13)3-6-14(16)17/h4-5,9-10H,3,6-8,15H2,1-2H3.
What are the key properties of 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-methylbutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43446543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).