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

C14H15BrN4O — CID 106949064

IUPAC2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
SMILESNc1ccc(NCC(=O)NC2CC2)c2ncc(Br)cc12
InChIInChI=1S/C14H15BrN4O/c15-8-5-10-11(16)3-4-12(14(10)18-6-8)17-7-13(20)19-9-1-2-9/h3-6,9,17H,1-2,7,16H2,(H,19,20)
InChIKeyVHYWIEOWTZBXGF-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.27
Rot. Bonds4

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

2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide (PubChem CID 106949064) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
PubChem CID106949064
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
SMILESNc1ccc(NCC(=O)NC2CC2)c2ncc(Br)cc12
InChIInChI=1S/C14H15BrN4O/c15-8-5-10-11(16)3-4-12(14(10)18-6-8)17-7-13(20)19-9-1-2-9/h3-6,9,17H,1-2,7,16H2,(H,19,20)
InChIKeyVHYWIEOWTZBXGF-UHFFFAOYSA-N
XLogP2.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.27
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

2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
CID 113394394
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide (CID 106949064) is 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide is Nc1ccc(NCC(=O)NC2CC2)c2ncc(Br)cc12.
What is the InChIKey of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide?
The InChIKey is VHYWIEOWTZBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-8-5-10-11(16)3-4-12(14(10)18-6-8)17-7-13(20)19-9-1-2-9/h3-6,9,17H,1-2,7,16H2,(H,19,20).
What are the key properties of 2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide?
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide has a molecular weight of 335.21 g/mol, XLogP of 2.27, 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-cyclopropylacetamide is sourced from PubChem (CID 106949064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).