2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide

C15H20N4O — CID 103963513

IUPAC2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-13(20)9-18-14-10-6-4-5-7-12(10)17-8-11(14)16/h4-8H,9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIFWSGGOHTOOUMC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds3

About 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide

2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide (PubChem CID 103963513) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
PubChem CID103963513
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-13(20)9-18-14-10-6-4-5-7-12(10)17-8-11(14)16/h4-8H,9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyIFWSGGOHTOOUMC-UHFFFAOYSA-N
XLogP2.14
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
2-(2,1-benzothiazol-3-ylamino)-N-tert-butylacetamide
CID 78942041
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
3-[(3-aminoquinolin-4-yl)amino]propyl-tert-butylcarbamic acid
CID 67052445
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
CID 171035159
2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide (CID 103963513) is 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1c(N)cnc2ccccc12.
What is the InChIKey of 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide?
The InChIKey is IFWSGGOHTOOUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)19-13(20)9-18-14-10-6-4-5-7-12(10)17-8-11(14)16/h4-8H,9,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide?
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 103963513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).