7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

C13H18N2O3 — CID 43382899

IUPAC7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOCCOc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C13H18N2O3/c1-2-17-5-6-18-12-7-9-3-4-13(16)15-11(9)8-10(12)14/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyDFDBJCCPOPQIRB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds5

About 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43382899) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43382899
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOCCOc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C13H18N2O3/c1-2-17-5-6-18-12-7-9-3-4-13(16)15-11(9)8-10(12)14/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyDFDBJCCPOPQIRB-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
6-amino-7-(2-cyclopropylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106199650
6-amino-7-(1-ethoxypropan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 103486501
7-amino-6-(4-methylpentan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449981
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837
2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 46786283
6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82805294
7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 43449975
7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449973
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 43382899) is 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is CCOCCOc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DFDBJCCPOPQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-17-5-6-18-12-7-9-3-4-13(16)15-11(9)8-10(12)14/h7-8H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43382899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).