3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide

C16H22N4O — CID 103000927

IUPAC3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H22N4O/c1-3-11(2)20-16(21)7-9-18-14-6-8-19-15-10-12(17)4-5-13(14)15/h4-6,8,10-11H,3,7,9,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIIACOHGLURRCMP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds6

About 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide

3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 103000927) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
PubChem CID103000927
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H22N4O/c1-3-11(2)20-16(21)7-9-18-14-6-8-19-15-10-12(17)4-5-13(14)15/h4-6,8,10-11H,3,7,9,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIIACOHGLURRCMP-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
3-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-butan-2-ylpropanamide
CID 79892916
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
2-[(7-aminoquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106780
N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 55152673
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]benzoic acid
CID 115545678
N-butan-2-yl-3-(2-carbamothioyl-5-chloroanilino)propanamide
CID 63092321

Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide (CID 103000927) is 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNc1ccnc2cc(N)ccc12.
What is the InChIKey of 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is IIACOHGLURRCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-11(2)20-16(21)7-9-18-14-6-8-19-15-10-12(17)4-5-13(14)15/h4-6,8,10-11H,3,7,9,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide?
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 103000927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).