6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one

C15H22N2O4 — CID 103401017

IUPAC6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOCCCOc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C15H22N2O4/c1-19-7-8-20-5-2-6-21-14-10-13-11(9-12(14)16)3-4-15(18)17-13/h9-10H,2-8,16H2,1H3,(H,17,18)
InChIKeyHECAPZZXPHWCCK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.59
Rot. Bonds8

About 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103401017) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID103401017
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOCCCOc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C15H22N2O4/c1-19-7-8-20-5-2-6-21-14-10-13-11(9-12(14)16)3-4-15(18)17-13/h9-10H,2-8,16H2,1H3,(H,17,18)
InChIKeyHECAPZZXPHWCCK-UHFFFAOYSA-N
XLogP1.59
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43382899
6-amino-7-(2-cyclopropylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106199650
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82805294
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958
6-amino-7-(1-ethoxypropan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 103486501
6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103400876
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82804474

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 103401017) is 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one is COCCOCCCOc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HECAPZZXPHWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-7-8-20-5-2-6-21-14-10-13-11(9-12(14)16)3-4-15(18)17-13/h9-10H,2-8,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 294.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103401017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).