1-amino-4-propan-2-ylquinolin-2-one

C12H14N2O — CID 162256831

IUPAC1-amino-4-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc(=O)n(N)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(2)10-7-12(15)14(13)11-6-4-3-5-9(10)11/h3-8H,13H2,1-2H3
InChIKeyZYRYVIVCMOEMDK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.84
Rot. Bonds1

About 1-amino-4-propan-2-ylquinolin-2-one

1-amino-4-propan-2-ylquinolin-2-one (PubChem CID 162256831) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-amino-4-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name1-amino-4-propan-2-ylquinolin-2-one
PubChem CID162256831
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-amino-4-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc(=O)n(N)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-8(2)10-7-12(15)14(13)11-6-4-3-5-9(10)11/h3-8H,13H2,1-2H3
InChIKeyZYRYVIVCMOEMDK-UHFFFAOYSA-N
XLogP1.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxyquinoline
CID 6038
4-Methylquinolin-2-ol
CID 69088
1-Methyl-2-quinolone
CID 11820
O-Ethylacetanilide
CID 36332
1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
4,8-Dimethyl-2-hydroxyquinoline
CID 220708
1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
CID 698299
1,4-Dimethyl-2-quinolone
CID 97252
3-Deoxyviridicatin
CID 375912
3-methylquinolin-2(1H)-one
CID 440987
4-(Aminomethyl)-1,2-dihydroquinolin-2-one
CID 14816728
4-Methyl-1-phenyl-2(1H)-quinolone
CID 269183

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-propan-2-ylquinolin-2-one?
The IUPAC name of 1-amino-4-propan-2-ylquinolin-2-one (CID 162256831) is 1-amino-4-propan-2-ylquinolin-2-one.
What is the SMILES notation for 1-amino-4-propan-2-ylquinolin-2-one?
The canonical SMILES for 1-amino-4-propan-2-ylquinolin-2-one is CC(C)c1cc(=O)n(N)c2ccccc12.
What is the InChIKey of 1-amino-4-propan-2-ylquinolin-2-one?
The InChIKey is ZYRYVIVCMOEMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)10-7-12(15)14(13)11-6-4-3-5-9(10)11/h3-8H,13H2,1-2H3.
What are the key properties of 1-amino-4-propan-2-ylquinolin-2-one?
1-amino-4-propan-2-ylquinolin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-propan-2-ylquinolin-2-one is sourced from PubChem (CID 162256831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).