ethane;7-pentoxy-1H-quinolin-2-one

C16H23NO2 — CID 144829550

IUPACethane;7-pentoxy-1H-quinolin-2-one
SMILESCC.CCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C14H17NO2.C2H6/c1-2-3-4-9-17-12-7-5-11-6-8-14(16)15-13(11)10-12;1-2/h5-8,10H,2-4,9H2,1H3,(H,15,16);1-2H3
InChIKeyFQCHIDQYKIVHBO-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.12
Rot. Bonds5

About ethane;7-pentoxy-1H-quinolin-2-one

ethane;7-pentoxy-1H-quinolin-2-one (PubChem CID 144829550) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;7-pentoxy-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;7-pentoxy-1H-quinolin-2-one
PubChem CID144829550
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethane;7-pentoxy-1H-quinolin-2-one
SMILESCC.CCCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C14H17NO2.C2H6/c1-2-3-4-9-17-12-7-5-11-6-8-14(16)15-13(11)10-12;1-2/h5-8,10H,2-4,9H2,1H3,(H,15,16);1-2H3
InChIKeyFQCHIDQYKIVHBO-UHFFFAOYSA-N
XLogP4.12
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
6-butoxy-2-methyl-1H-indole
CID 154112736
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
7-butyl-1H-quinolin-2-one
CID 119093138
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
CID 177262317
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371

Frequently Asked Questions

What is the IUPAC name of ethane;7-pentoxy-1H-quinolin-2-one?
The IUPAC name of ethane;7-pentoxy-1H-quinolin-2-one (CID 144829550) is ethane;7-pentoxy-1H-quinolin-2-one.
What is the SMILES notation for ethane;7-pentoxy-1H-quinolin-2-one?
The canonical SMILES for ethane;7-pentoxy-1H-quinolin-2-one is CC.CCCCCOc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of ethane;7-pentoxy-1H-quinolin-2-one?
The InChIKey is FQCHIDQYKIVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C2H6/c1-2-3-4-9-17-12-7-5-11-6-8-14(16)15-13(11)10-12;1-2/h5-8,10H,2-4,9H2,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;7-pentoxy-1H-quinolin-2-one?
ethane;7-pentoxy-1H-quinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-pentoxy-1H-quinolin-2-one is sourced from PubChem (CID 144829550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).