ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one

C14H21NO — CID 142243326

IUPACethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
SMILESCC.CC(C)N1CC(=O)Cc2ccccc21
InChIInChI=1S/C12H15NO.C2H6/c1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-2/h3-6,9H,7-8H2,1-2H3;1-2H3
InChIKeyCMRDCHKYICPPIR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds1

About ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one

ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one (PubChem CID 142243326) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one.

Molecular Properties

Compound Nameethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
PubChem CID142243326
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
SMILESCC.CC(C)N1CC(=O)Cc2ccccc21
InChIInChI=1S/C12H15NO.C2H6/c1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-2/h3-6,9H,7-8H2,1-2H3;1-2H3
InChIKeyCMRDCHKYICPPIR-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2,4-dihydroquinolin-3-one
CID 141048465
(11Z)-5,11,12-tri(propan-2-yl)-6H-benzo[c][1]benzazocine
CID 168786359
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
(3-oxo-2,4-dihydroquinolin-1-yl) formate
CID 57318246
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
CID 139445224
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 58860770
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
ethane;1-methyl-4H-3,1-benzothiazin-2-one
CID 90782126
8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096604

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one?
The IUPAC name of ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one (CID 142243326) is ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one.
What is the SMILES notation for ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one?
The canonical SMILES for ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one is CC.CC(C)N1CC(=O)Cc2ccccc21.
What is the InChIKey of ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one?
The InChIKey is CMRDCHKYICPPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-2/h3-6,9H,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one?
ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one has a molecular weight of 219.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one is sourced from PubChem (CID 142243326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).