tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate

C17H24N4O2 — CID 66958404

IUPACtert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-10-6-9-19-15-12-7-4-5-8-14(12)21-11-13(15)18/h4-5,7-8,11H,6,9-10,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWHOMGEWVHFZJGT-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate

tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate (PubChem CID 66958404) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
PubChem CID66958404
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Nametert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-10-6-9-19-15-12-7-4-5-8-14(12)21-11-13(15)18/h4-5,7-8,11H,6,9-10,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyWHOMGEWVHFZJGT-UHFFFAOYSA-N
XLogP3.14
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
CID 171035159
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
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
tert-butyl N-[3-(2,1-benzothiazol-3-ylamino)propyl]carbamate
CID 115613159
tert-butyl N-[3-[[(3-aminoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 164926469
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
tert-butyl N-[4-(acridin-9-ylamino)butyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 10963962
tert-butyl N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]carbamate
CID 103204542

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate (CID 66958404) is tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1c(N)cnc2ccccc12.
What is the InChIKey of tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate?
The InChIKey is WHOMGEWVHFZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-10-6-9-19-15-12-7-4-5-8-14(12)21-11-13(15)18/h4-5,7-8,11H,6,9-10,18H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 66958404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).