7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

C21H24N2O2 — CID 46829776

IUPAC7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCc4ccccc4C3)cc2N1
InChIInChI=1S/C21H24N2O2/c24-21-9-7-17-6-8-19(14-20(17)22-21)25-13-3-11-23-12-10-16-4-1-2-5-18(16)15-23/h1-2,4-6,8,14H,3,7,9-13,15H2,(H,22,24)
InChIKeyVUVLHXICIKCCTI-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.40
Rot. Bonds5

About 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 46829776) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID46829776
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCc4ccccc4C3)cc2N1
InChIInChI=1S/C21H24N2O2/c24-21-9-7-17-6-8-19(14-20(17)22-21)25-13-3-11-23-12-10-16-4-1-2-5-18(16)15-23/h1-2,4-6,8,14H,3,7,9-13,15H2,(H,22,24)
InChIKeyVUVLHXICIKCCTI-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 175505645
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 137457101
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-[3-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 25151399
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134443286
7-[3-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 56597937

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 46829776) is 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCN3CCc4ccccc4C3)cc2N1.
What is the InChIKey of 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VUVLHXICIKCCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21-9-7-17-6-8-19(14-20(17)22-21)25-13-3-11-23-12-10-16-4-1-2-5-18(16)15-23/h1-2,4-6,8,14H,3,7,9-13,15H2,(H,22,24).
What are the key properties of 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 46829776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).