ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate

C18H20N2O4 — CID 19975660

IUPACethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate
SMILESCCOC(=O)CCCCOc1ccc2nc3c(cc2c1)CC(=O)N3
InChIInChI=1S/C18H20N2O4/c1-2-23-17(22)5-3-4-8-24-14-6-7-15-12(10-14)9-13-11-16(21)20-18(13)19-15/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,20,21)
InChIKeyDUKCUPOIXWRUKP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.84
Rot. Bonds7

About ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate

ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate (PubChem CID 19975660) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate
PubChem CID19975660
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate
SMILESCCOC(=O)CCCCOc1ccc2nc3c(cc2c1)CC(=O)N3
InChIInChI=1S/C18H20N2O4/c1-2-23-17(22)5-3-4-8-24-14-6-7-15-12(10-14)9-13-11-16(21)20-18(13)19-15/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,20,21)
InChIKeyDUKCUPOIXWRUKP-UHFFFAOYSA-N
XLogP2.84
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 11743593
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
CID 15005639
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 5-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pentanoate
CID 14848615
ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate
CID 19849123
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
ethyl 6-[6-(4-tert-butyl-1,3-oxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 10364169
ethyl 4-[4-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597171

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate?
The IUPAC name of ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate (CID 19975660) is ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate.
What is the SMILES notation for ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate?
The canonical SMILES for ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate is CCOC(=O)CCCCOc1ccc2nc3c(cc2c1)CC(=O)N3.
What is the InChIKey of ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate?
The InChIKey is DUKCUPOIXWRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-17(22)5-3-4-8-24-14-6-7-15-12(10-14)9-13-11-16(21)20-18(13)19-15/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,20,21).
What are the key properties of ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate?
ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate has a molecular weight of 328.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate is sourced from PubChem (CID 19975660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).