7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one

C14H18N2O3 — CID 118707059

IUPAC7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(OCCCCCNO)cc2[nH]1
InChIInChI=1S/C14H18N2O3/c17-14-7-5-11-4-6-12(10-13(11)16-14)19-9-3-1-2-8-15-18/h4-7,10,15,18H,1-3,8-9H2,(H,16,17)
InChIKeyPXBZQNBZUNWGNW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.06
Rot. Bonds7

About 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one

7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one (PubChem CID 118707059) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
PubChem CID118707059
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(OCCCCCNO)cc2[nH]1
InChIInChI=1S/C14H18N2O3/c17-14-7-5-11-4-6-12(10-13(11)16-14)19-9-3-1-2-8-15-18/h4-7,10,15,18H,1-3,8-9H2,(H,16,17)
InChIKeyPXBZQNBZUNWGNW-UHFFFAOYSA-N
XLogP2.06
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one
CID 164622481
7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
CID 177262317
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
CID 177262297
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;sulfuric acid
CID 66885812
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321

Frequently Asked Questions

What is the IUPAC name of 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one (CID 118707059) is 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one is O=c1ccc2ccc(OCCCCCNO)cc2[nH]1.
What is the InChIKey of 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one?
The InChIKey is PXBZQNBZUNWGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14-7-5-11-4-6-12(10-13(11)16-14)19-9-3-1-2-8-15-18/h4-7,10,15,18H,1-3,8-9H2,(H,16,17).
What are the key properties of 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one?
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one is sourced from PubChem (CID 118707059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).