(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate

C23H30N4O5 — CID 167094587

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate
SMILESCCN(CC)CCOCCc1cnc2ccc(CNC(=O)ON3C(=O)CCC3=O)cc2c1
InChIInChI=1S/C23H30N4O5/c1-3-26(4-2)10-12-31-11-9-18-14-19-13-17(5-6-20(19)24-15-18)16-25-23(30)32-27-21(28)7-8-22(27)29/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,25,30)
InChIKeyHUYDSNIPWGRECH-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.43
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate (PubChem CID 167094587) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate
PubChem CID167094587
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate
SMILESCCN(CC)CCOCCc1cnc2ccc(CNC(=O)ON3C(=O)CCC3=O)cc2c1
InChIInChI=1S/C23H30N4O5/c1-3-26(4-2)10-12-31-11-9-18-14-19-13-17(5-6-20(19)24-15-18)16-25-23(30)32-27-21(28)7-8-22(27)29/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,25,30)
InChIKeyHUYDSNIPWGRECH-UHFFFAOYSA-N
XLogP2.43
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate
CID 130456379
(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
CID 167723182
2-(diethylamino)ethyl 4-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]butanoate
CID 167094689
2-(diethylamino)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]benzoate;(2,5-dioxopyrrolidin-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate
CID 164967106
N-[2-[ethyl-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethyl]amino]ethyl]-6-iodoquinoxaline-2-carboxamide
CID 72712880
(2,5-dioxopyrrolidin-1-yl) 2-[4-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]phenyl]acetate
CID 167094690
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethoxy]-N,N-diethylethanamine
CID 22666306
(2,5-dioxopyrrolidin-1-yl) N-[7-[3-(diethylamino)propylamino]-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl]carbamate
CID 167094576
(2,5-dioxopyrrolidin-1-yl) (E)-3-[2-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]prop-2-enoate
CID 118656743
2-[4-[7-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]quinolin-3-yl]butanoylamino]ethanesulfonic acid
CID 167094539
(2,5-dioxopyrrolidin-1-yl) 4-[3-[4-oxo-4-(phosphonooxymethoxy)butyl]quinolin-7-yl]butanoate
CID 167094529
(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate;ethane;phenanthrene
CID 161315751

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate (CID 167094587) is (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate is CCN(CC)CCOCCc1cnc2ccc(CNC(=O)ON3C(=O)CCC3=O)cc2c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate?
The InChIKey is HUYDSNIPWGRECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-3-26(4-2)10-12-31-11-9-18-14-19-13-17(5-6-20(19)24-15-18)16-25-23(30)32-27-21(28)7-8-22(27)29/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,25,30).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate?
(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate has a molecular weight of 442.52 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate is sourced from PubChem (CID 167094587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).