2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide

C14H17BrN4O — CID 106949177

IUPAC2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-3-17-14(20)8(2)19-12-5-4-11(16)10-6-9(15)7-18-13(10)12/h4-8,19H,3,16H2,1-2H3,(H,17,20)
InChIKeyCAJOOSVEOUDURG-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.52
Rot. Bonds4

About 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide

2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide (PubChem CID 106949177) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide
PubChem CID106949177
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-3-17-14(20)8(2)19-12-5-4-11(16)10-6-9(15)7-18-13(10)12/h4-8,19H,3,16H2,1-2H3,(H,17,20)
InChIKeyCAJOOSVEOUDURG-UHFFFAOYSA-N
XLogP2.52
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.52
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-[(5-amino-3-bromoquinolin-8-yl)amino]butanamide
CID 106949644
3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910
3-bromo-8-N-(1-methylsulfonylpropan-2-yl)quinoline-5,8-diamine
CID 106949431
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
3-bromo-8-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949172
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
CID 106949397
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide (CID 106949177) is 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide?
The InChIKey is CAJOOSVEOUDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-17-14(20)8(2)19-12-5-4-11(16)10-6-9(15)7-18-13(10)12/h4-8,19H,3,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide?
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide has a molecular weight of 337.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 106949177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).