tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate

C18H24N4O2 — CID 75537190

IUPACtert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-11-9-21(10-12-22)15-7-6-14(19)13-5-4-8-20-16(13)15/h4-8H,9-12,19H2,1-3H3
InChIKeyQHYNCBGTMCIGAP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate

tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate (PubChem CID 75537190) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
PubChem CID75537190
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Nametert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-11-9-21(10-12-22)15-7-6-14(19)13-5-4-8-20-16(13)15/h4-8H,9-12,19H2,1-3H3
InChIKeyQHYNCBGTMCIGAP-UHFFFAOYSA-N
XLogP2.87
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857
tert-butyl 4-(1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-1-carboxylate
CID 150990896
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-(4-methyl-2-pyrimidin-2-ylsulfanylphenyl)piperazine-1-carboxylate
CID 141426246
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-[2-amino-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 154031682
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
tert-butyl 4-[3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 168503568

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate (CID 75537190) is tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N)c3cccnc23)CC1.
What is the InChIKey of tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate?
The InChIKey is QHYNCBGTMCIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-11-9-21(10-12-22)15-7-6-14(19)13-5-4-8-20-16(13)15/h4-8H,9-12,19H2,1-3H3.
What are the key properties of tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate is sourced from PubChem (CID 75537190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).