2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide

C15H17BrN2O — CID 81428744

IUPAC2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H17BrN2O/c1-10(2)13(16)15(19)18-9-12-6-3-5-11-7-4-8-17-14(11)12/h3-8,10,13H,9H2,1-2H3,(H,18,19)
InChIKeyFFWLARLRKVSAKF-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.27
Rot. Bonds4

About 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide

2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide (PubChem CID 81428744) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
PubChem CID81428744
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H17BrN2O/c1-10(2)13(16)15(19)18-9-12-6-3-5-11-7-4-8-17-14(11)12/h3-8,10,13H,9H2,1-2H3,(H,18,19)
InChIKeyFFWLARLRKVSAKF-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide (CID 81428744) is 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide is CC(C)C(Br)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide?
The InChIKey is FFWLARLRKVSAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10(2)13(16)15(19)18-9-12-6-3-5-11-7-4-8-17-14(11)12/h3-8,10,13H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide?
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide has a molecular weight of 321.22 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide is sourced from PubChem (CID 81428744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).