tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate

C18H26N4O2 — CID 171035159

IUPACtert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
SMILESCC(C)(C)OC(=O)C(N)CCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)13(19)8-6-10-21-16-12-7-4-5-9-15(12)22-11-14(16)20/h4-5,7,9,11,13H,6,8,10,19-20H2,1-3H3,(H,21,22)
InChIKeyAAFZNYQCXRZCQS-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.68
Rot. Bonds6

About tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate

tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate (PubChem CID 171035159) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
PubChem CID171035159
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
SMILESCC(C)(C)OC(=O)C(N)CCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)13(19)8-6-10-21-16-12-7-4-5-9-15(12)22-11-14(16)20/h4-5,7,9,11,13H,6,8,10,19-20H2,1-3H3,(H,21,22)
InChIKeyAAFZNYQCXRZCQS-UHFFFAOYSA-N
XLogP2.68
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
3-[(3-aminoquinolin-4-yl)amino]propyl-tert-butylcarbamic acid
CID 67052445
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
CID 69179366
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
tert-butyl N-[3-[[(3-aminoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 164926469
tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
CID 71212336

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate?
The IUPAC name of tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate (CID 171035159) is tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate.
What is the SMILES notation for tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate?
The canonical SMILES for tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate is CC(C)(C)OC(=O)C(N)CCCNc1c(N)cnc2ccccc12.
What is the InChIKey of tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate?
The InChIKey is AAFZNYQCXRZCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)13(19)8-6-10-21-16-12-7-4-5-9-15(12)22-11-14(16)20/h4-5,7,9,11,13H,6,8,10,19-20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate?
tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate has a molecular weight of 330.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate is sourced from PubChem (CID 171035159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).