7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one

C14H19NO3 — CID 114940015

IUPAC7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C14H19NO3/c1-17-8-2-3-9-18-12-6-4-11-5-7-14(16)15-13(11)10-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,16)
InChIKeyLBBMTDTUHZAHRL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.38
Rot. Bonds6

About 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one

7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114940015) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID114940015
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C14H19NO3/c1-17-8-2-3-9-18-12-6-4-11-5-7-14(16)15-13(11)10-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,16)
InChIKeyLBBMTDTUHZAHRL-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide
CID 166437382
7-(4-bromobutoxy)-4,4-dideuterio-1,3-dihydroquinolin-2-one
CID 59719020
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one (CID 114940015) is 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one is COCCCCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LBBMTDTUHZAHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-8-2-3-9-18-12-6-4-11-5-7-14(16)15-13(11)10-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,16).
What are the key properties of 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114940015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).