tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate

C24H30N4O6 — CID 135279148

IUPACtert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCOc1cccc2ncc(-n3ccc(=O)[nH]c3=O)cc12
InChIInChI=1S/C24H30N4O6/c1-24(2,3)34-23(31)25-10-5-12-32-13-6-14-33-20-8-4-7-19-18(20)15-17(16-26-19)28-11-9-21(29)27-22(28)30/h4,7-9,11,15-16H,5-6,10,12-14H2,1-3H3,(H,25,31)(H,27,29,30)
InChIKeyWORXXISVTHTMIE-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.77
Rot. Bonds10

About tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate

tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate (PubChem CID 135279148) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate
PubChem CID135279148
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC Nametert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCCOc1cccc2ncc(-n3ccc(=O)[nH]c3=O)cc12
InChIInChI=1S/C24H30N4O6/c1-24(2,3)34-23(31)25-10-5-12-32-13-6-14-33-20-8-4-7-19-18(20)15-17(16-26-19)28-11-9-21(29)27-22(28)30/h4,7-9,11,15-16H,5-6,10,12-14H2,1-3H3,(H,25,31)(H,27,29,30)
InChIKeyWORXXISVTHTMIE-UHFFFAOYSA-N
XLogP2.77
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl N-[3-[3-[[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]carbamoyl]phenoxy]propyl]carbamate
CID 110154070
3-[2-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]phthalic acid
CID 121411043
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
tert-butyl N-[3-[2-(methylaminomethyl)phenoxy]propyl]carbamate
CID 123160691
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate
CID 57437795
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
2-[7-(4-butylphenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-6-yl]oxypropoxy]propyl]acetamide
CID 142409493
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate (CID 135279148) is tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCCOc1cccc2ncc(-n3ccc(=O)[nH]c3=O)cc12.
What is the InChIKey of tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate?
The InChIKey is WORXXISVTHTMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-24(2,3)34-23(31)25-10-5-12-32-13-6-14-33-20-8-4-7-19-18(20)15-17(16-26-19)28-11-9-21(29)27-22(28)30/h4,7-9,11,15-16H,5-6,10,12-14H2,1-3H3,(H,25,31)(H,27,29,30).
What are the key properties of tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate?
tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate is sourced from PubChem (CID 135279148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).