6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one

C16H24N2O2 — CID 43455700

IUPAC6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCCOc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C16H24N2O2/c1-2-3-4-5-6-9-20-15-11-14-12(10-13(15)17)7-8-16(19)18-14/h10-11H,2-9,17H2,1H3,(H,18,19)
InChIKeyAOVUJZPGEJELBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds7

About 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one

6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455700) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455700
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCCOc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C16H24N2O2/c1-2-3-4-5-6-9-20-15-11-14-12(10-13(15)17)7-8-16(19)18-14/h10-11H,2-9,17H2,1H3,(H,18,19)
InChIKeyAOVUJZPGEJELBR-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
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
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
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-(1-ethoxypropan-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 103486501
6-amino-7-(1-methylpiperidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 61283217
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
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one (CID 43455700) is 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one is CCCCCCCOc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AOVUJZPGEJELBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-4-5-6-9-20-15-11-14-12(10-13(15)17)7-8-16(19)18-14/h10-11H,2-9,17H2,1H3,(H,18,19).
What are the key properties of 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).