2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile

C15H19N3O — CID 115254242

IUPAC2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C15H19N3O/c1-10(2)12(8-16)9-18-14-5-4-13(17)7-11(14)3-6-15(18)19/h4-5,7,10,12H,3,6,9,17H2,1-2H3
InChIKeyLUBIYDBCAULLSO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds3

About 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile

2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile (PubChem CID 115254242) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
PubChem CID115254242
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C15H19N3O/c1-10(2)12(8-16)9-18-14-5-4-13(17)7-11(14)3-6-15(18)19/h4-5,7,10,12H,3,6,9,17H2,1-2H3
InChIKeyLUBIYDBCAULLSO-UHFFFAOYSA-N
XLogP2.34
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
CID 115219709
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
CID 43446594
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
CID 114249768
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488262

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile (CID 115254242) is 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile is CC(C)C(C#N)CN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile?
The InChIKey is LUBIYDBCAULLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)12(8-16)9-18-14-5-4-13(17)7-11(14)3-6-15(18)19/h4-5,7,10,12H,3,6,9,17H2,1-2H3.
What are the key properties of 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile?
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile has a molecular weight of 257.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 115254242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).